(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide

C24H35N5O3 — CID 98471979

About (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide

(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide (PubChem CID 98471979) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
• PubChem CID: 98471979
• Molecular Formula: C24H35N5O3
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.27
• IUPAC Name: (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
• SMILES: COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCCN4CCC[C@H](C)C4)C3)n2)cc1
• InChI: InChI=1S/C24H35N5O3/c1-18-6-3-13-28(16-18)14-5-12-25-23(30)20-7-4-15-29(17-20)24-26-22(27-32-24)19-8-10-21(31-2)11-9-19/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,25,30)/t18-,20-/m0/s1
• InChIKey: FVCHPFHJWHOTBV-ICSRJNTNSA-N
• XLogP: 3.20
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide (CID 98471979) is (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCCN4CCC[C@H](C)C4)C3)n2)cc1.

What is the InChIKey of (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide?

The InChIKey is FVCHPFHJWHOTBV-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-18-6-3-13-28(16-18)14-5-12-25-23(30)20-7-4-15-29(17-20)24-26-22(27-32-24)19-8-10-21(31-2)11-9-19/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,25,30)/t18-,20-/m0/s1.

What are the key properties of (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide?

(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 98471979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).