N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C21H22N4O2 — CID 3983937

IUPACN-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(22-15-16-7-3-1-4-8-16)25-13-11-18(12-14-25)20-23-19(24-27-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26)
InChIKeySDRSVDPIHNWPEP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds4

About N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 3983937) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID3983937
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(22-15-16-7-3-1-4-8-16)25-13-11-18(12-14-25)20-23-19(24-27-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26)
InChIKeySDRSVDPIHNWPEP-UHFFFAOYSA-N
XLogP3.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 3983937) is N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is SDRSVDPIHNWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(22-15-16-7-3-1-4-8-16)25-13-11-18(12-14-25)20-23-19(24-27-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26).
What are the key properties of N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3983937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).