(3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide

C19H29N7O — CID 97190758

About (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide

(3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 97190758) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
• PubChem CID: 97190758
• Molecular Formula: C19H29N7O
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.24
• IUPAC Name: (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
• SMILES: Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1
• InChI: InChI=1S/C19H29N7O/c1-24-17(13-25-11-9-20-14-25)22-23-18(24)15-6-5-10-26(12-15)19(27)21-16-7-3-2-4-8-16/h9,11,14-16H,2-8,10,12-13H2,1H3,(H,21,27)/t15-/m0/s1
• InChIKey: NGKDMOBRKDSYIL-HNNXBMFYSA-N
• XLogP: 2.28
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?

The IUPAC name of (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 97190758) is (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?

The canonical SMILES for (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide is Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)NC2CCCCC2)C1.

What is the InChIKey of (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?

The InChIKey is NGKDMOBRKDSYIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-24-17(13-25-11-9-20-14-25)22-23-18(24)15-6-5-10-26(12-15)19(27)21-16-7-3-2-4-8-16/h9,11,14-16H,2-8,10,12-13H2,1H3,(H,21,27)/t15-/m0/s1.

What are the key properties of (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?

(3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97190758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).