N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide

C28H42N4OS — CID 71563366

About N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide

N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 71563366) has the molecular formula C28H42N4OS and a molecular weight of 482.74 g/mol. Its IUPAC name is N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 71563366
• Molecular Formula: C28H42N4OS
• Molecular Weight: 482.74 g/mol
• Exact Mass: 482.31
• IUPAC Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)s1
• InChI: InChI=1S/C28H42N4OS/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,24H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+
• InChIKey: IOSXQDSJAGUDMV-OYRHEFFESA-N
• XLogP: 5.12
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.74
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide (CID 71563366) is N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)s1.

What is the InChIKey of N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?

The InChIKey is IOSXQDSJAGUDMV-OYRHEFFESA-N. The full InChI is InChI=1S/C28H42N4OS/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,24H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+.

What are the key properties of N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide?

N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 482.74 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71563366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).