N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

C25H25ClN4O3 — CID 50767410

IUPACN-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
InChIInChI=1S/C25H25ClN4O3/c26-21-4-2-1-3-20(21)15-27-23(31)17-11-13-30(14-12-17)25(32)19-9-5-16(6-10-19)22-28-24(33-29-22)18-7-8-18/h1-6,9-10,17-18H,7-8,11-15H2,(H,27,31)
InChIKeyMBRITQFUIAWKPF-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.44
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 50767410) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
PubChem CID50767410
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
InChIInChI=1S/C25H25ClN4O3/c26-21-4-2-1-3-20(21)15-27-23(31)17-11-13-30(14-12-17)25(32)19-9-5-16(6-10-19)22-28-24(33-29-22)18-7-8-18/h1-6,9-10,17-18H,7-8,11-15H2,(H,27,31)
InChIKeyMBRITQFUIAWKPF-UHFFFAOYSA-N
XLogP4.44
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-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

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46292734
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide
CID 92898459
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 50767376
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50824889
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
N-[(2-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042928

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide (CID 50767410) is N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is MBRITQFUIAWKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c26-21-4-2-1-3-20(21)15-27-23(31)17-11-13-30(14-12-17)25(32)19-9-5-16(6-10-19)22-28-24(33-29-22)18-7-8-18/h1-6,9-10,17-18H,7-8,11-15H2,(H,27,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 464.95 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 50767410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).