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

C26H31ClN4O2 — CID 43927953

IUPACN-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1)Cc1ccccc1
InChIInChI=1S/C26H31ClN4O2/c1-2-19(16-20-8-4-3-5-9-20)17-28-26(32)21-12-14-31(15-13-21)18-24-29-25(30-33-24)22-10-6-7-11-23(22)27/h3-11,19,21H,2,12-18H2,1H3,(H,28,32)
InChIKeyWFVDFTFYUXXHTA-UHFFFAOYSA-N
MW467.01 g/mol
LogP4.99
Rot. Bonds9

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

N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43927953) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43927953
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC NameN-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCCC(CNC(=O)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1)Cc1ccccc1
InChIInChI=1S/C26H31ClN4O2/c1-2-19(16-20-8-4-3-5-9-20)17-28-26(32)21-12-14-31(15-13-21)18-24-29-25(30-33-24)22-10-6-7-11-23(22)27/h3-11,19,21H,2,12-18H2,1H3,(H,28,32)
InChIKeyWFVDFTFYUXXHTA-UHFFFAOYSA-N
XLogP4.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylbutyl)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927292
N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929797
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927942
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38154883
N-(3-benzylsulfanylpropyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38154600
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 38154935
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43933632
3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 43927924
N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931438
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38153957
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43927953) is N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is CCC(CNC(=O)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is WFVDFTFYUXXHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c1-2-19(16-20-8-4-3-5-9-20)17-28-26(32)21-12-14-31(15-13-21)18-24-29-25(30-33-24)22-10-6-7-11-23(22)27/h3-11,19,21H,2,12-18H2,1H3,(H,28,32).
What are the key properties of N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 467.01 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).