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

C29H29ClN4O2 — CID 43934372

IUPAC1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)C2)c2ccccc2)cc1
InChIInChI=1S/C29H29ClN4O2/c1-20-12-14-22(15-13-20)27(21-7-3-2-4-8-21)32-29(35)24-10-6-16-34(18-24)19-26-31-28(33-36-26)23-9-5-11-25(30)17-23/h2-5,7-9,11-15,17,24,27H,6,10,16,18-19H2,1H3,(H,32,35)
InChIKeyGWGOMGFWWFNZKZ-UHFFFAOYSA-N
MW501.03 g/mol
LogP5.82
Rot. Bonds7

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

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide (PubChem CID 43934372) has the molecular formula C29H29ClN4O2 and a molecular weight of 501.03 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
PubChem CID43934372
Molecular FormulaC29H29ClN4O2
Molecular Weight501.03 g/mol
Exact Mass500.20
IUPAC Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)C2)c2ccccc2)cc1
InChIInChI=1S/C29H29ClN4O2/c1-20-12-14-22(15-13-20)27(21-7-3-2-4-8-21)32-29(35)24-10-6-16-34(18-24)19-26-31-28(33-36-26)23-9-5-11-25(30)17-23/h2-5,7-9,11-15,17,24,27H,6,10,16,18-19H2,1H3,(H,32,35)
InChIKeyGWGOMGFWWFNZKZ-UHFFFAOYSA-N
XLogP5.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-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-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931829
N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930280
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934003
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43926889
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2,4-dimethylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43932345
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 43934339
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43929819
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43934078
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931828
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43928504

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide (CID 43934372) is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide is Cc1ccc(C(NC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)C2)c2ccccc2)cc1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide?
The InChIKey is GWGOMGFWWFNZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O2/c1-20-12-14-22(15-13-20)27(21-7-3-2-4-8-21)32-29(35)24-10-6-16-34(18-24)19-26-31-28(33-36-26)23-9-5-11-25(30)17-23/h2-5,7-9,11-15,17,24,27H,6,10,16,18-19H2,1H3,(H,32,35).
What are the key properties of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide?
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43934372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).