N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide

C25H27N3O2 — CID 16910303

IUPACN-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-9-11-21(12-10-18)26-25(30)20-13-15-28(16-14-20)17-24(29)27-23-8-4-6-19-5-2-3-7-22(19)23/h2-12,20H,13-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyBRKJIKBSONCJHP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.44
Rot. Bonds5

About N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide

N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16910303) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16910303
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-9-11-21(12-10-18)26-25(30)20-13-15-28(16-14-20)17-24(29)27-23-8-4-6-19-5-2-3-7-22(19)23/h2-12,20H,13-17H2,1H3,(H,26,30)(H,27,29)
InChIKeyBRKJIKBSONCJHP-UHFFFAOYSA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16910314
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16910291
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 16910303) is N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is BRKJIKBSONCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-9-11-21(12-10-18)26-25(30)20-13-15-28(16-14-20)17-24(29)27-23-8-4-6-19-5-2-3-7-22(19)23/h2-12,20H,13-17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16910303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).