N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

C24H25ClN2O — CID 43921707

IUPACN-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(Cc3cccc4ccccc34)C2)cc1Cl
InChIInChI=1S/C24H25ClN2O/c1-17-11-12-21(14-23(17)25)26-24(28)20-9-5-13-27(16-20)15-19-8-4-7-18-6-2-3-10-22(18)19/h2-4,6-8,10-12,14,20H,5,9,13,15-16H2,1H3,(H,26,28)
InChIKeyJPRKTDAZRUYVKJ-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.65
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 43921707) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID43921707
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(Cc3cccc4ccccc34)C2)cc1Cl
InChIInChI=1S/C24H25ClN2O/c1-17-11-12-21(14-23(17)25)26-24(28)20-9-5-13-27(16-20)15-19-8-4-7-18-6-2-3-10-22(18)19/h2-4,6-8,10-12,14,20H,5,9,13,15-16H2,1H3,(H,26,28)
InChIKeyJPRKTDAZRUYVKJ-UHFFFAOYSA-N
XLogP5.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919649
N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43924471
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
ethyl 2-chloro-4-[[(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 94025808
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43922172
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
(3S)-1-[(2-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 38104218
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 43921707) is N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(Cc3cccc4ccccc34)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JPRKTDAZRUYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-17-11-12-21(14-23(17)25)26-24(28)20-9-5-13-27(16-20)15-19-8-4-7-18-6-2-3-10-22(18)19/h2-4,6-8,10-12,14,20H,5,9,13,15-16H2,1H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43921707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).