N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

C25H28N2O2 — CID 43919757

IUPACN-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H28N2O2/c1-2-29-24-15-6-5-14-23(24)26-25(28)21-12-8-16-27(18-21)17-20-11-7-10-19-9-3-4-13-22(19)20/h3-7,9-11,13-15,21H,2,8,12,16-18H2,1H3,(H,26,28)
InChIKeyHXUBWHZUCVFUND-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.09
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 43919757) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID43919757
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C25H28N2O2/c1-2-29-24-15-6-5-14-23(24)26-25(28)21-12-8-16-27(18-21)17-20-11-7-10-19-9-3-4-13-22(19)20/h3-7,9-11,13-15,21H,2,8,12,16-18H2,1H3,(H,26,28)
InChIKeyHXUBWHZUCVFUND-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
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-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921707

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 43919757) is N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CCCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HXUBWHZUCVFUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-29-24-15-6-5-14-23(24)26-25(28)21-12-8-16-27(18-21)17-20-11-7-10-19-9-3-4-13-22(19)20/h3-7,9-11,13-15,21H,2,8,12,16-18H2,1H3,(H,26,28).
What are the key properties of N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).