(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C25H29N5O2 — CID 95101110

About (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95101110) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 95101110
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1cccc(CNC(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)c1
• InChI: InChI=1S/C25H29N5O2/c1-17-6-2-7-18(14-17)15-27-24(31)20-10-5-13-30(16-20)23-21(11-4-12-26-23)22-28-25(32-29-22)19-8-3-9-19/h2,4,6-7,11-12,14,19-20H,3,5,8-10,13,15-16H2,1H3,(H,27,31)/t20-/m0/s1
• InChIKey: SVCBEYIBPQSAJE-FQEVSTJZSA-N
• XLogP: 4.24
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 95101110) is (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)c1.

What is the InChIKey of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is SVCBEYIBPQSAJE-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-6-2-7-18(14-17)15-27-24(31)20-10-5-13-30(16-20)23-21(11-4-12-26-23)22-28-25(32-29-22)19-8-3-9-19/h2,4,6-7,11-12,14,19-20H,3,5,8-10,13,15-16H2,1H3,(H,27,31)/t20-/m0/s1.

What are the key properties of (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?

(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95101110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).