N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide

C27H34N6O4 — CID 167077833

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 167077833) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide
• PubChem CID: 167077833
• Molecular Formula: C27H34N6O4
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.26
• IUPAC Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide
• SMILES: O=C(N1CCC(O)CC1)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nc(C3CC3)no2)c1
• InChI: InChI=1S/C27H34N6O4/c34-22-12-15-32(16-13-22)27(35)33(14-3-1-2-7-23-28-24(30-36-23)18-8-9-18)21-6-4-5-20(17-21)26-29-25(31-37-26)19-10-11-19/h4-6,17-19,22,34H,1-3,7-16H2
• InChIKey: HKMNSYWGXWKEAR-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 121.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide?

The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide (CID 167077833) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide.

What is the SMILES notation for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide?

The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide is O=C(N1CCC(O)CC1)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nc(C3CC3)no2)c1.

What is the InChIKey of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide?

The InChIKey is HKMNSYWGXWKEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c34-22-12-15-32(16-13-22)27(35)33(14-3-1-2-7-23-28-24(30-36-23)18-8-9-18)21-6-4-5-20(17-21)26-29-25(31-37-26)19-10-11-19/h4-6,17-19,22,34H,1-3,7-16H2.

What are the key properties of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide?

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 167077833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).