1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide

C21H26N2O — CID 43919133

IUPAC1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O/c1-16-10-11-17(2)20(13-16)22-21(24)19-9-6-12-23(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)
InChIKeyNTCYHJWWOQSGPU-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.15
Rot. Bonds4

About 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide

1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 43919133) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
PubChem CID43919133
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O/c1-16-10-11-17(2)20(13-16)22-21(24)19-9-6-12-23(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)
InChIKeyNTCYHJWWOQSGPU-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3S)-1-benzyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100777396
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 124507659
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide (CID 43919133) is 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(C)c(NC(=O)C2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is NTCYHJWWOQSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-10-11-17(2)20(13-16)22-21(24)19-9-6-12-23(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide?
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).