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

C27H34N4O2 — CID 43929797

IUPACN-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCC(CNC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1)Cc1ccccc1
InChIInChI=1S/C27H34N4O2/c1-3-21(16-22-11-5-4-6-12-22)17-28-27(32)23-13-9-15-31(18-23)19-25-29-26(30-33-25)24-14-8-7-10-20(24)2/h4-8,10-12,14,21,23H,3,9,13,15-19H2,1-2H3,(H,28,32)
InChIKeyJPEKWHMZJKQIEY-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.64
Rot. Bonds9

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

N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43929797) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43929797
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCC(CNC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1)Cc1ccccc1
InChIInChI=1S/C27H34N4O2/c1-3-21(16-22-11-5-4-6-12-22)17-28-27(32)23-13-9-15-31(18-23)19-25-29-26(30-33-25)24-14-8-7-10-20(24)2/h4-8,10-12,14,21,23H,3,9,13,15-19H2,1-2H3,(H,28,32)
InChIKeyJPEKWHMZJKQIEY-UHFFFAOYSA-N
XLogP4.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931438
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
N-(2-benzylbutyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927953
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(3-methylphenyl)propyl]piperidine-3-carboxamide
CID 43929708
N-[3-(dimethylamino)propyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929674
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43933632
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43929819
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929760
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43929509
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 43929734
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929842
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 43929537

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43929797) is N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCC(CNC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is JPEKWHMZJKQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-3-21(16-22-11-5-4-6-12-22)17-28-27(32)23-13-9-15-31(18-23)19-25-29-26(30-33-25)24-14-8-7-10-20(24)2/h4-8,10-12,14,21,23H,3,9,13,15-19H2,1-2H3,(H,28,32).
What are the key properties of N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.64, 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-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).