N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

C25H26N2O2 — CID 43924471

IUPACN-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(Cc3cccc4ccccc34)C2)c1
InChIInChI=1S/C25H26N2O2/c1-18(28)20-9-5-12-23(15-20)26-25(29)22-11-6-14-27(17-22)16-21-10-4-8-19-7-2-3-13-24(19)21/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3,(H,26,29)
InChIKeyRHQGHKWPCJPWAK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.89
Rot. Bonds5

About N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 43924471) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID43924471
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCCN(Cc3cccc4ccccc34)C2)c1
InChIInChI=1S/C25H26N2O2/c1-18(28)20-9-5-12-23(15-20)26-25(29)22-11-6-14-27(17-22)16-21-10-4-8-19-7-2-3-13-24(19)21/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3,(H,26,29)
InChIKeyRHQGHKWPCJPWAK-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919649
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
(3R)-N-(3-acetylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641632

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 43924471) is N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCCN(Cc3cccc4ccccc34)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is RHQGHKWPCJPWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(28)20-9-5-12-23(15-20)26-25(29)22-11-6-14-27(17-22)16-21-10-4-8-19-7-2-3-13-24(19)21/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43924471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).