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

C24H27ClN4O2 — CID 43934202

IUPAC1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C24H27ClN4O2/c1-16(2)20-10-3-4-11-21(20)26-24(30)18-8-6-12-29(14-18)15-22-27-23(28-31-22)17-7-5-9-19(25)13-17/h3-5,7,9-11,13,16,18H,6,8,12,14-15H2,1-2H3,(H,26,30)
InChIKeySYVFMHPITOYKKM-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.36
Rot. Bonds6

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

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 43934202) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID43934202
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C24H27ClN4O2/c1-16(2)20-10-3-4-11-21(20)26-24(30)18-8-6-12-29(14-18)15-22-27-23(28-31-22)17-7-5-9-19(25)13-17/h3-5,7,9-11,13,16,18H,6,8,12,14-15H2,1-2H3,(H,26,30)
InChIKeySYVFMHPITOYKKM-UHFFFAOYSA-N
XLogP5.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43934078
N-(3-acetamidophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934264
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 43934242
N-(3-chloro-2-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929959
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43934100
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 43930153
N-(4-bromo-2-fluorophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934234
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 43934339
N-(3-bromophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934086
N-butyl-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934210
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 43932378
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934372

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (CID 43934202) is 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is SYVFMHPITOYKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-16(2)20-10-3-4-11-21(20)26-24(30)18-8-6-12-29(14-18)15-22-27-23(28-31-22)17-7-5-9-19(25)13-17/h3-5,7,9-11,13,16,18H,6,8,12,14-15H2,1-2H3,(H,26,30).
What are the key properties of 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 5.36, 6 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-(2-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43934202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).