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

C27H32N4O — CID 95805760

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

N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805760) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 95805760
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccn2)CC1
• InChI: InChI=1S/C27H32N4O/c1-21(2)30-26(32)27(11-16-31(17-12-27)20-25-8-3-4-13-29-25)19-22-6-5-7-24(18-22)23-9-14-28-15-10-23/h3-10,13-15,18,21H,11-12,16-17,19-20H2,1-2H3,(H,30,32)
• InChIKey: WBAFYIFGEGBCCY-UHFFFAOYSA-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 N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805760) is N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccn2)CC1.

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

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

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

N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-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 N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).