(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C24H25N3O2S — CID 92609529

About (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609529) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609529
• Molecular Formula: C24H25N3O2S
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.17
• IUPAC Name: (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccnc2)C1
• InChI: InChI=1S/C24H25N3O2S/c1-25-23(29)24(15-18-7-2-3-9-20(18)21-10-5-14-30-21)11-6-13-27(17-24)22(28)19-8-4-12-26-16-19/h2-5,7-10,12,14,16H,6,11,13,15,17H2,1H3,(H,25,29)/t24-/m1/s1
• InChIKey: USOXSAJVEJDDHK-XMMPIXPASA-N
• XLogP: 4.02
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609529) is (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccnc2)C1.

What is the InChIKey of (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is USOXSAJVEJDDHK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-25-23(29)24(15-18-7-2-3-9-20(18)21-10-5-14-30-21)11-6-13-27(17-24)22(28)19-8-4-12-26-16-19/h2-5,7-10,12,14,16H,6,11,13,15,17H2,1H3,(H,25,29)/t24-/m1/s1.

What are the key properties of (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).