3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

C20H19ClN4O2 — CID 42760859

IUPAC3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C20H19ClN4O2/c21-16-8-4-6-14(12-16)18-23-19(27-24-18)15-7-5-11-25(13-15)20(26)22-17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,22,26)
InChIKeyILLWEEYCQYGRDS-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.80
Rot. Bonds3

About 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 42760859) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID42760859
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C20H19ClN4O2/c21-16-8-4-6-14(12-16)18-23-19(27-24-18)15-7-5-11-25(13-15)20(26)22-17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,22,26)
InChIKeyILLWEEYCQYGRDS-UHFFFAOYSA-N
XLogP4.80
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-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

Related Compounds

(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 7219016
(3R)-N-(3-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454485
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 812500
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456069
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3989669
(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 1456372
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760477
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
(3S)-N-(3-chloro-4-fluorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7356807
N-[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 70313533

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (CID 42760859) is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(c2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ILLWEEYCQYGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-8-4-6-14(12-16)18-23-19(27-24-18)15-7-5-11-25(13-15)20(26)22-17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2,(H,22,26).
What are the key properties of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 42760859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).