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

C26H31ClN4O2 — CID 43933582

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H31ClN4O2/c1-4-23(20-8-7-17(2)18(3)14-20)28-26(32)21-6-5-13-31(15-21)16-24-29-25(30-33-24)19-9-11-22(27)12-10-19/h7-12,14,21,23H,4-6,13,15-16H2,1-3H3,(H,28,32)
InChIKeyJAQGIZBOSPCHPJ-UHFFFAOYSA-N
MW467.01 g/mol
LogP5.49
Rot. Bonds7

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

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 43933582) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
PubChem CID43933582
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H31ClN4O2/c1-4-23(20-8-7-17(2)18(3)14-20)28-26(32)21-6-5-13-31(15-21)16-24-29-25(30-33-24)19-9-11-22(27)12-10-19/h7-12,14,21,23H,4-6,13,15-16H2,1-3H3,(H,28,32)
InChIKeyJAQGIZBOSPCHPJ-UHFFFAOYSA-N
XLogP5.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43933287
N-(5-chloro-2-methylphenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933294
N-[1-(2-methylphenyl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929436
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934372
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 43932314
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 43928184
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-3-carboxamide
CID 43933201
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929760
N-[1-(3,4-dimethoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926995
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809
N-butan-2-yl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931140

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide (CID 43933582) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide is CCC(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is JAQGIZBOSPCHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c1-4-23(20-8-7-17(2)18(3)14-20)28-26(32)21-6-5-13-31(15-21)16-24-29-25(30-33-24)19-9-11-22(27)12-10-19/h7-12,14,21,23H,4-6,13,15-16H2,1-3H3,(H,28,32).
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 467.01 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 43933582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).