N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C29H31N3OS — CID 90611269

About N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90611269) has the molecular formula C29H31N3OS and a molecular weight of 469.65 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 90611269
• Molecular Formula: C29H31N3OS
• Molecular Weight: 469.65 g/mol
• Exact Mass: 469.22
• IUPAC Name: N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc2nc(N3CCC(C(=O)NCCC(c4ccccc4)c4ccccc4)CC3)sc2c1
• InChI: InChI=1S/C29H31N3OS/c1-21-12-13-26-27(20-21)34-29(31-26)32-18-15-24(16-19-32)28(33)30-17-14-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,20,24-25H,14-19H2,1H3,(H,30,33)
• InChIKey: AKILFDGLUCUNDK-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.65
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90611269) is N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(N3CCC(C(=O)NCCC(c4ccccc4)c4ccccc4)CC3)sc2c1.

What is the InChIKey of N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is AKILFDGLUCUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3OS/c1-21-12-13-26-27(20-21)34-29(31-26)32-18-15-24(16-19-32)28(33)30-17-14-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,20,24-25H,14-19H2,1H3,(H,30,33).

What are the key properties of N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90611269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).