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

C28H36N4O4 — CID 43931438

IUPACN-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCC(CNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1)Cc1ccccc1
InChIInChI=1S/C28H36N4O4/c1-4-20(15-21-9-6-5-7-10-21)17-29-28(33)23-11-8-14-32(18-23)19-26-30-27(31-36-26)22-12-13-24(34-2)25(16-22)35-3/h5-7,9-10,12-13,16,20,23H,4,8,11,14-15,17-19H2,1-3H3,(H,29,33)
InChIKeyZSOIFCKEMNLBEF-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.35
Rot. Bonds11

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

N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43931438) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43931438
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCC(CNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1)Cc1ccccc1
InChIInChI=1S/C28H36N4O4/c1-4-20(15-21-9-6-5-7-10-21)17-29-28(33)23-11-8-14-32(18-23)19-26-30-27(31-36-26)22-12-13-24(34-2)25(16-22)35-3/h5-7,9-10,12-13,16,20,23H,4,8,11,14-15,17-19H2,1-3H3,(H,29,33)
InChIKeyZSOIFCKEMNLBEF-UHFFFAOYSA-N
XLogP4.35
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-benzylbutyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929797
N-butan-2-yl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931140
(3R)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26772854
(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92901481
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929100
(3R)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 26772872
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43931328
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 43931320
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43931365
N-[2-(benzylcarbamoyl)phenyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931236
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931271
(3R)-N-cyclopentyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26772896

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43931438) is N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCC(CNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is ZSOIFCKEMNLBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-4-20(15-21-9-6-5-7-10-21)17-29-28(33)23-11-8-14-32(18-23)19-26-30-27(31-36-26)22-12-13-24(34-2)25(16-22)35-3/h5-7,9-10,12-13,16,20,23H,4,8,11,14-15,17-19H2,1-3H3,(H,29,33).
What are the key properties of N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43931438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).