(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C25H28N4O — CID 92609608

About (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609608) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609608
• Molecular Formula: C25H28N4O
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.23
• IUPAC Name: (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1
• InChI: InChI=1S/C25H28N4O/c1-26-24(30)25(12-4-16-29(19-25)18-23-5-2-3-13-28-23)17-20-6-8-21(9-7-20)22-10-14-27-15-11-22/h2-3,5-11,13-15H,4,12,16-19H2,1H3,(H,26,30)/t25-/m0/s1
• InChIKey: UNDYSUJQPKFDHG-VWLOTQADSA-N
• XLogP: 3.71
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609608) is (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1.

What is the InChIKey of (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is UNDYSUJQPKFDHG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O/c1-26-24(30)25(12-4-16-29(19-25)18-23-5-2-3-13-28-23)17-20-6-8-21(9-7-20)22-10-14-27-15-11-22/h2-3,5-11,13-15H,4,12,16-19H2,1H3,(H,26,30)/t25-/m0/s1.

What are the key properties of (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).