N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

C29H44N4O3 — CID 71660617

About N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 71660617) has the molecular formula C29H44N4O3 and a molecular weight of 496.70 g/mol. Its IUPAC name is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 71660617
• Molecular Formula: C29H44N4O3
• Molecular Weight: 496.70 g/mol
• Exact Mass: 496.34
• IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
• SMILES: COc1cccc(C)c1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)o1
• InChI: InChI=1S/C29H44N4O3/c1-20-16-21(2)18-33(17-20)13-7-12-30-28(34)24-10-14-32(15-11-24)19-25-23(4)36-29(31-25)27-22(3)8-6-9-26(27)35-5/h6,8-9,20-21,24H,7,10-19H2,1-5H3,(H,30,34)/t20-,21+
• InChIKey: LVZAQEQPJOFQSF-OYRHEFFESA-N
• XLogP: 4.66
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.70
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 71660617) is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is COc1cccc(C)c1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)o1.

What is the InChIKey of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

The InChIKey is LVZAQEQPJOFQSF-OYRHEFFESA-N. The full InChI is InChI=1S/C29H44N4O3/c1-20-16-21(2)18-33(17-20)13-7-12-30-28(34)24-10-14-32(15-11-24)19-25-23(4)36-29(31-25)27-22(3)8-6-9-26(27)35-5/h6,8-9,20-21,24H,7,10-19H2,1-5H3,(H,30,34)/t20-,21+.

What are the key properties of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 496.70 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71660617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).