(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

C23H27N3OS — CID 92899043

About (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92899043) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
• PubChem CID: 92899043
• Molecular Formula: C23H27N3OS
• Molecular Weight: 393.56 g/mol
• Exact Mass: 393.19
• IUPAC Name: (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
• SMILES: Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3nccc4sccc34)C2)cc1C
• InChI: InChI=1S/C23H27N3OS/c1-15-6-7-18(13-16(15)2)17(3)25-23(27)19-5-4-11-26(14-19)22-20-9-12-28-21(20)8-10-24-22/h6-10,12-13,17,19H,4-5,11,14H2,1-3H3,(H,25,27)/t17-,19-/m1/s1
• InChIKey: MTCUCRSCCGIMER-IEBWSBKVSA-N
• XLogP: 5.01
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?

The IUPAC name of (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 92899043) is (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3nccc4sccc34)C2)cc1C.

What is the InChIKey of (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?

The InChIKey is MTCUCRSCCGIMER-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-15-6-7-18(13-16(15)2)17(3)25-23(27)19-5-4-11-26(14-19)22-20-9-12-28-21(20)8-10-24-22/h6-10,12-13,17,19H,4-5,11,14H2,1-3H3,(H,25,27)/t17-,19-/m1/s1.

What are the key properties of (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?

(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 393.56 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92899043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).