4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide

C29H28N4O3 — CID 53131857

IUPAC4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3noc(C4CCN(C(=O)c5ccccc5C)CC4)n3)cc2)c1
InChIInChI=1S/C29H28N4O3/c1-19-6-5-8-24(18-19)30-27(34)22-12-10-21(11-13-22)26-31-28(36-32-26)23-14-16-33(17-15-23)29(35)25-9-4-3-7-20(25)2/h3-13,18,23H,14-17H2,1-2H3,(H,30,34)
InChIKeyLQUJEHADBVHQKL-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.63
Rot. Bonds5

About 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide

4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide (PubChem CID 53131857) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
PubChem CID53131857
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3noc(C4CCN(C(=O)c5ccccc5C)CC4)n3)cc2)c1
InChIInChI=1S/C29H28N4O3/c1-19-6-5-8-24(18-19)30-27(34)22-12-10-21(11-13-22)26-31-28(36-32-26)23-14-16-33(17-15-23)29(35)25-9-4-3-7-20(25)2/h3-13,18,23H,14-17H2,1-2H3,(H,30,34)
InChIKeyLQUJEHADBVHQKL-UHFFFAOYSA-N
XLogP5.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide 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

4-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)benzamide
CID 53131838
N-[4-[5-[1-(3-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130383
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
N-[3-[5-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897565
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
(2-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051395
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
(2-bromophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3942200
N-[3-[5-[(3S)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897581

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide (CID 53131857) is 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(-c3noc(C4CCN(C(=O)c5ccccc5C)CC4)n3)cc2)c1.
What is the InChIKey of 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide?
The InChIKey is LQUJEHADBVHQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-19-6-5-8-24(18-19)30-27(34)22-12-10-21(11-13-22)26-31-28(36-32-26)23-14-16-33(17-15-23)29(35)25-9-4-3-7-20(25)2/h3-13,18,23H,14-17H2,1-2H3,(H,30,34).
What are the key properties of 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide?
4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 480.57 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 53131857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).