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

C23H26N4O2 — CID 50814453

IUPACN-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2nc(CN3CCCC(C(=O)NCc4ccccc4)C3)no2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-9-11-19(12-10-17)23-25-21(26-29-23)16-27-13-5-8-20(15-27)22(28)24-14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3,(H,24,28)
InChIKeyMXFLFGWXOFIYDR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.57
Rot. Bonds6

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

N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 50814453) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
PubChem CID50814453
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2nc(CN3CCCC(C(=O)NCc4ccccc4)C3)no2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-9-11-19(12-10-17)23-25-21(26-29-23)16-27-13-5-8-20(15-27)22(28)24-14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3,(H,24,28)
InChIKeyMXFLFGWXOFIYDR-UHFFFAOYSA-N
XLogP3.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733298
N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814408
(3S)-N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733295
(3S)-N-(2-ethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733375
N-(3,5-dimethylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814421
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
(3R)-N-(4-bromophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733338
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-(2-methoxy-5-methylphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814427
(3R)-N-(2,4-difluorophenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733350
(3S)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3R)-2-oxoazepan-3-yl]piperidine-3-carboxamide
CID 92733335
1-benzyl-3-[(3S)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]urea
CID 98042276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide (CID 50814453) is N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2nc(CN3CCCC(C(=O)NCc4ccccc4)C3)no2)cc1.
What is the InChIKey of N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is MXFLFGWXOFIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-9-11-19(12-10-17)23-25-21(26-29-23)16-27-13-5-8-20(15-27)22(28)24-14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3,(H,24,28).
What are the key properties of N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide?
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50814453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).