(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C26H29N3O2S — CID 92604934

About (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92604934) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92604934
• Molecular Formula: C26H29N3O2S
• Molecular Weight: 447.60 g/mol
• Exact Mass: 447.20
• IUPAC Name: (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2ccccn2)C1
• InChI: InChI=1S/C26H29N3O2S/c1-28(2)25(31)26(18-20-8-5-9-21(16-20)23-11-6-15-32-23)12-7-14-29(19-26)24(30)17-22-10-3-4-13-27-22/h3-6,8-11,13,15-16H,7,12,14,17-19H2,1-2H3/t26-/m0/s1
• InChIKey: IVUUJKYEQRUFMJ-SANMLTNESA-N
• XLogP: 4.29
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.60
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92604934) is (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2ccccn2)C1.

What is the InChIKey of (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is IVUUJKYEQRUFMJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-28(2)25(31)26(18-20-8-5-9-21(16-20)23-11-6-15-32-23)12-7-14-29(19-26)24(30)17-22-10-3-4-13-27-22/h3-6,8-11,13,15-16H,7,12,14,17-19H2,1-2H3/t26-/m0/s1.

What are the key properties of (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

(3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N,N-dimethyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92604934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).