benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate

C23H21NO3 — CID 46704336

IUPACbenzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H21NO3/c25-21-12-13-24(23(26)27-16-17-6-2-1-3-7-17)22(15-21)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,22H,12-13,15-16H2
InChIKeyMOHGJILAUUMRBB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.88
Rot. Bonds3

About benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate

benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate (PubChem CID 46704336) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate
PubChem CID46704336
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namebenzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H21NO3/c25-21-12-13-24(23(26)27-16-17-6-2-1-3-7-17)22(15-21)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,22H,12-13,15-16H2
InChIKeyMOHGJILAUUMRBB-UHFFFAOYSA-N
XLogP4.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate
CID 156889648
benzyl 2-(3-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;benzyl 2-(3-fluorophenyl)-4-oxopiperidine-1-carboxylate
CID 159080814
benzyl (1S,7S)-5-oxo-2-azabicyclo[5.1.0]octane-2-carboxylate
CID 177275622
benzyl (1S,8S)-8-fluoro-5-oxo-2-azabicyclo[5.1.0]octane-2-carboxylate
CID 177267563
benzyl 4-ethylidene-2-phenylpiperidine-1-carboxylate
CID 70898573
benzyl (2S)-4-cyclobutylidene-2-(4-methylphenyl)piperidine-1-carboxylate
CID 172515472
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
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benzyl 2-(5-oxocyclopenten-1-yl)piperidine-1-carboxylate
CID 73232289
benzyl (2R)-2-[(E)-4-chlorobut-1-enyl]-4-oxopiperidine-1-carboxylate
CID 134945703
1-O-benzyl 2-O-tert-butyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 118865465

Frequently Asked Questions

What is the IUPAC name of benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate (CID 46704336) is benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate is O=C1CCN(C(=O)OCc2ccccc2)C(c2ccc3ccccc3c2)C1.
What is the InChIKey of benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate?
The InChIKey is MOHGJILAUUMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-21-12-13-24(23(26)27-16-17-6-2-1-3-7-17)22(15-21)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,22H,12-13,15-16H2.
What are the key properties of benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate?
benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 46704336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).