5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one

C32H43N3O2 — CID 157186592

About 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one

5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one (PubChem CID 157186592) has the molecular formula C32H43N3O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one.

Molecular Properties

• Compound Name: 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one
• PubChem CID: 157186592
• Molecular Formula: C32H43N3O2
• Molecular Weight: 501.72 g/mol
• Exact Mass: 501.34
• IUPAC Name: 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one
• SMILES: Cc1oc(-c2cccc3ccccc23)nc1CN1CCC(C(=O)CCCCN2C[C@H](C)C[C@H](C)C2)CC1
• InChI: InChI=1S/C32H43N3O2/c1-23-19-24(2)21-35(20-23)16-7-6-13-31(36)27-14-17-34(18-15-27)22-30-25(3)37-32(33-30)29-12-8-10-26-9-4-5-11-28(26)29/h4-5,8-12,23-24,27H,6-7,13-22H2,1-3H3/t23-,24+
• InChIKey: PJFRDBZYHGXGBX-PSWAGMNNSA-N
• XLogP: 6.73
• TPSA: 49.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.72
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
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 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one?

The IUPAC name of 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one (CID 157186592) is 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one.

What is the SMILES notation for 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one?

The canonical SMILES for 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one is Cc1oc(-c2cccc3ccccc23)nc1CN1CCC(C(=O)CCCCN2C[C@H](C)C[C@H](C)C2)CC1.

What is the InChIKey of 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one?

The InChIKey is PJFRDBZYHGXGBX-PSWAGMNNSA-N. The full InChI is InChI=1S/C32H43N3O2/c1-23-19-24(2)21-35(20-23)16-7-6-13-31(36)27-14-17-34(18-15-27)22-30-25(3)37-32(33-30)29-12-8-10-26-9-4-5-11-28(26)29/h4-5,8-12,23-24,27H,6-7,13-22H2,1-3H3/t23-,24+.

What are the key properties of 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one?

5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one has a molecular weight of 501.72 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one is sourced from PubChem (CID 157186592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).