(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide

C25H29ClN4O2 — CID 30153628

About (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide

(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 30153628) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
• PubChem CID: 30153628
• Molecular Formula: C25H29ClN4O2
• Molecular Weight: 452.99 g/mol
• Exact Mass: 452.20
• IUPAC Name: (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
• SMILES: Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C(C)C)C2)cc1
• InChI: InChI=1S/C25H29ClN4O2/c1-17(2)30(16-23-27-24(28-32-23)19-8-10-21(26)11-9-19)25(31)20-5-4-14-29(15-20)22-12-6-18(3)7-13-22/h6-13,17,20H,4-5,14-16H2,1-3H3/t20-/m1/s1
• InChIKey: DJQXKZFEJGNTRR-HXUWFJFHSA-N
• XLogP: 5.35
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.99
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
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-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide?

The IUPAC name of (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 30153628) is (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide is Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccc(Cl)cc4)no3)C(C)C)C2)cc1.

What is the InChIKey of (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide?

The InChIKey is DJQXKZFEJGNTRR-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-17(2)30(16-23-27-24(28-32-23)19-8-10-21(26)11-9-19)25(31)20-5-4-14-29(15-20)22-12-6-18(3)7-13-22/h6-13,17,20H,4-5,14-16H2,1-3H3/t20-/m1/s1.

What are the key properties of (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide?

(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 452.99 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 30153628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).