N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

C25H28N2O — CID 43919238

IUPACN-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H28N2O/c1-18-14-19(2)16-23(15-18)26-25(28)21-10-12-27(13-11-21)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,26,28)
InChIKeyLBBJQBCUPLUKIO-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.31
Rot. Bonds4

About N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 43919238) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
PubChem CID43919238
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H28N2O/c1-18-14-19(2)16-23(15-18)26-25(28)21-10-12-27(13-11-21)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,26,28)
InChIKeyLBBJQBCUPLUKIO-UHFFFAOYSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43920099
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-(1-hydroxy-2-methylpropan-2-yl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 51362423
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43924053
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43923580

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (CID 43919238) is N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)C2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LBBJQBCUPLUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-14-19(2)16-23(15-18)26-25(28)21-10-12-27(13-11-21)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,26,28).
What are the key properties of N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43919238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).