(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

C24H29N3OS — CID 92898998

About (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (PubChem CID 92898998) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
• PubChem CID: 92898998
• Molecular Formula: C24H29N3OS
• Molecular Weight: 407.58 g/mol
• Exact Mass: 407.20
• IUPAC Name: (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
• SMILES: Cc1cc2c(N3CCC[C@@H](C(=O)N[C@@H](C)c4ccc(C)c(C)c4)C3)nccc2s1
• InChI: InChI=1S/C24H29N3OS/c1-15-7-8-19(12-16(15)2)18(4)26-24(28)20-6-5-11-27(14-20)23-21-13-17(3)29-22(21)9-10-25-23/h7-10,12-13,18,20H,5-6,11,14H2,1-4H3,(H,26,28)/t18-,20+/m0/s1
• InChIKey: JDFUIOBWHSGZKR-AZUAARDMSA-N
• XLogP: 5.32
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.58
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (CID 92898998) is (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is Cc1cc2c(N3CCC[C@@H](C(=O)N[C@@H](C)c4ccc(C)c(C)c4)C3)nccc2s1.

What is the InChIKey of (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?

The InChIKey is JDFUIOBWHSGZKR-AZUAARDMSA-N. The full InChI is InChI=1S/C24H29N3OS/c1-15-7-8-19(12-16(15)2)18(4)26-24(28)20-6-5-11-27(14-20)23-21-13-17(3)29-22(21)9-10-25-23/h7-10,12-13,18,20H,5-6,11,14H2,1-4H3,(H,26,28)/t18-,20+/m0/s1.

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

(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92898998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).