(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

C27H34N4OS — CID 92885044

About (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (PubChem CID 92885044) has the molecular formula C27H34N4OS and a molecular weight of 462.66 g/mol. Its IUPAC name is (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
• PubChem CID: 92885044
• Molecular Formula: C27H34N4OS
• Molecular Weight: 462.66 g/mol
• Exact Mass: 462.25
• IUPAC Name: (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
• SMILES: Cc1cc2c(N3CCC[C@@H](C(=O)NCc4ccc(N5CCC(C)CC5)cc4)C3)nccc2s1
• InChI: InChI=1S/C27H34N4OS/c1-19-10-14-30(15-11-19)23-7-5-21(6-8-23)17-29-27(32)22-4-3-13-31(18-22)26-24-16-20(2)33-25(24)9-12-28-26/h5-9,12,16,19,22H,3-4,10-11,13-15,17-18H2,1-2H3,(H,29,32)/t22-/m1/s1
• InChIKey: UHDODDHTRWBFBI-JOCHJYFZSA-N
• XLogP: 5.37
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.66
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (CID 92885044) is (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is Cc1cc2c(N3CCC[C@@H](C(=O)NCc4ccc(N5CCC(C)CC5)cc4)C3)nccc2s1.

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

The InChIKey is UHDODDHTRWBFBI-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H34N4OS/c1-19-10-14-30(15-11-19)23-7-5-21(6-8-23)17-29-27(32)22-4-3-13-31(18-22)26-24-16-20(2)33-25(24)9-12-28-26/h5-9,12,16,19,22H,3-4,10-11,13-15,17-18H2,1-2H3,(H,29,32)/t22-/m1/s1.

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

(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide has a molecular weight of 462.66 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92885044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).