(3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C26H29N3O2S — CID 92602399

About (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92602399) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92602399
• Molecular Formula: C26H29N3O2S
• Molecular Weight: 447.60 g/mol
• Exact Mass: 447.20
• IUPAC Name: (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1cc(C(=O)N2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cs1
• InChI: InChI=1S/C26H29N3O2S/c1-19-13-23(17-32-19)24(30)29-12-6-10-26(18-29,25(31)28(2)3)15-20-7-4-8-21(14-20)22-9-5-11-27-16-22/h4-5,7-9,11,13-14,16-17H,6,10,12,15,18H2,1-3H3/t26-/m1/s1
• InChIKey: WCNJEBMRKVTWAM-AREMUKBSSA-N
• XLogP: 4.67
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.60
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92602399) is (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is Cc1cc(C(=O)N2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cs1.

What is the InChIKey of (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is WCNJEBMRKVTWAM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-19-13-23(17-32-19)24(30)29-12-6-10-26(18-29,25(31)28(2)3)15-20-7-4-8-21(14-20)22-9-5-11-27-16-22/h4-5,7-9,11,13-14,16-17H,6,10,12,15,18H2,1-3H3/t26-/m1/s1.

What are the key properties of (3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 4.67, 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-(5-methylthiophene-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92602399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).