(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C19H28N6O — CID 51687450

About (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 51687450) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• PubChem CID: 51687450
• Molecular Formula: C19H28N6O
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.23
• IUPAC Name: (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(N2CCC[C@H](C(=O)NCC3CCCCC3)C2)n2ncnc2n1
• InChI: InChI=1S/C19H28N6O/c1-14-10-17(25-19(23-14)21-13-22-25)24-9-5-8-16(12-24)18(26)20-11-15-6-3-2-4-7-15/h10,13,15-16H,2-9,11-12H2,1H3,(H,20,26)/t16-/m0/s1
• InChIKey: AUPAKRSZEJFBSZ-INIZCTEOSA-N
• XLogP: 2.35
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 51687450) is (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is Cc1cc(N2CCC[C@H](C(=O)NCC3CCCCC3)C2)n2ncnc2n1.

What is the InChIKey of (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The InChIKey is AUPAKRSZEJFBSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-10-17(25-19(23-14)21-13-22-25)24-9-5-8-16(12-24)18(26)20-11-15-6-3-2-4-7-15/h10,13,15-16H,2-9,11-12H2,1H3,(H,20,26)/t16-/m0/s1.

What are the key properties of (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51687450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).