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

C25H27N3O2S — CID 92605013

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

(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92605013) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92605013
• Molecular Formula: C25H27N3O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.18
• IUPAC Name: (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cccnc2)C1
• InChI: InChI=1S/C25H27N3O2S/c1-27(2)24(30)25(16-19-7-3-8-20(15-19)22-10-5-14-31-22)11-6-13-28(18-25)23(29)21-9-4-12-26-17-21/h3-5,7-10,12,14-15,17H,6,11,13,16,18H2,1-2H3/t25-/m1/s1
• InChIKey: GCCULCLXOKYREZ-RUZDIDTESA-N
• XLogP: 4.36
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92605013) is (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cccnc2)C1.

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

The InChIKey is GCCULCLXOKYREZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-27(2)24(30)25(16-19-7-3-8-20(15-19)22-10-5-14-31-22)11-6-13-28(18-25)23(29)21-9-4-12-26-17-21/h3-5,7-10,12,14-15,17H,6,11,13,16,18H2,1-2H3/t25-/m1/s1.

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

(3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N,N-dimethyl-1-(pyridine-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92605013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).