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

C27H32N4O — CID 92579692

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

(3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92579692) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92579692
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1
• InChI: InChI=1S/C27H32N4O/c1-21(2)30-26(32)27(12-4-16-31(20-27)19-23-5-3-13-29-18-23)17-22-6-8-24(9-7-22)25-10-14-28-15-11-25/h3,5-11,13-15,18,21H,4,12,16-17,19-20H2,1-2H3,(H,30,32)/t27-/m1/s1
• InChIKey: CYTXIAYHEJYTFZ-HHHXNRCGSA-N
• XLogP: 4.49
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92579692) is (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1.

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

The InChIKey is CYTXIAYHEJYTFZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O/c1-21(2)30-26(32)27(12-4-16-31(20-27)19-23-5-3-13-29-18-23)17-22-6-8-24(9-7-22)25-10-14-28-15-11-25/h3,5-11,13-15,18,21H,4,12,16-17,19-20H2,1-2H3,(H,30,32)/t27-/m1/s1.

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

(3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-propan-2-yl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).