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

C19H25ClN4O2 — CID 43933632

IUPAC1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(Cc2nc(-c3ccccc3Cl)no2)C1
InChIInChI=1S/C19H25ClN4O2/c1-13(2)10-21-19(25)14-6-5-9-24(11-14)12-17-22-18(23-26-17)15-7-3-4-8-16(15)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,21,25)
InChIKeyLGECUSYEPJHCRU-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.37
Rot. Bonds6

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

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 43933632) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID43933632
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(Cc2nc(-c3ccccc3Cl)no2)C1
InChIInChI=1S/C19H25ClN4O2/c1-13(2)10-21-19(25)14-6-5-9-24(11-14)12-17-22-18(23-26-17)15-7-3-4-8-16(15)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,21,25)
InChIKeyLGECUSYEPJHCRU-UHFFFAOYSA-N
XLogP3.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)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-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-3-carboxamide
CID 43933796
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 43933885
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43933654
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 43933910
methyl 4-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933682
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933936
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43933801
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934025
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43933638
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 43933946
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934003

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 43933632) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(Cc2nc(-c3ccccc3Cl)no2)C1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is LGECUSYEPJHCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13(2)10-21-19(25)14-6-5-9-24(11-14)12-17-22-18(23-26-17)15-7-3-4-8-16(15)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,21,25).
What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43933632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).