(3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C27H37N5O2 — CID 124987137

About (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124987137) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• PubChem CID: 124987137
• Molecular Formula: C27H37N5O2
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.29
• IUPAC Name: (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• SMILES: CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)[C@@]2(CCCc3cccnc3)CCCN(C)C2)C1
• InChI: InChI=1S/C27H37N5O2/c1-28-24(33)27(23-11-3-4-16-30-23)14-8-18-32(21-27)25(34)26(13-7-17-31(2)20-26)12-5-9-22-10-6-15-29-19-22/h3-4,6,10-11,15-16,19H,5,7-9,12-14,17-18,20-21H2,1-2H3,(H,28,33)/t26-,27-/m0/s1
• InChIKey: ODLKCMOMRSLAOH-SVBPBHIXSA-N
• XLogP: 2.82
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The IUPAC name of (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124987137) is (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)[C@@]2(CCCc3cccnc3)CCCN(C)C2)C1.

What is the InChIKey of (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The InChIKey is ODLKCMOMRSLAOH-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-28-24(33)27(23-11-3-4-16-30-23)14-8-18-32(21-27)25(34)26(13-7-17-31(2)20-26)12-5-9-22-10-6-15-29-19-22/h3-4,6,10-11,15-16,19H,5,7-9,12-14,17-18,20-21H2,1-2H3,(H,28,33)/t26-,27-/m0/s1.

What are the key properties of (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

(3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124987137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).