A1BOC
Summary
| Name: | (3S)-1-{[(4R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]acetyl}piperidine-3-carboxamide |
| Formula: | C16 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 304.387 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-{[(4R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]acetyl}piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1c(C)nc2CCCCn21)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H24N4O2/c1-11-13(20-8-3-2-6-14(20)18-11)9-15(21)19-7-4-5-12(10-19)16(17)22/h12H,2-10H2,1H3,(H2,17,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | FXTPOBAQIFAHIO-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2CCCCn2c1CC(=O)N3CCC[C@@H](C3)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1nc2CCCCn2c1CC(=O)N3CCC[CH](C3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(n2c(n1)CCCC2)CC(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(n2c(n1)CCCC2)CC(=O)N3CCCC(C3)C(=O)N |
