benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate

C22H25NO3 — CID 156889648

IUPACbenzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate
SMILESCC(C)c1ccccc1C1CC(=O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H25NO3/c1-16(2)19-10-6-7-11-20(19)21-14-18(24)12-13-23(21)22(25)26-15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3
InChIKeyFPHGWFYUXMBTSS-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.85
Rot. Bonds4

About benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate

benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate (PubChem CID 156889648) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate
PubChem CID156889648
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Namebenzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate
SMILESCC(C)c1ccccc1C1CC(=O)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H25NO3/c1-16(2)19-10-6-7-11-20(19)21-14-18(24)12-13-23(21)22(25)26-15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3
InChIKeyFPHGWFYUXMBTSS-UHFFFAOYSA-N
XLogP4.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-naphthalen-2-yl-4-oxopiperidine-1-carboxylate
CID 46704336
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CID 177267563
benzyl (1S,7S)-5-oxo-2-azabicyclo[5.1.0]octane-2-carboxylate
CID 177275622
1-O-benzyl 2-O-tert-butyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 118865465
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 4-ethylidene-2-phenylpiperidine-1-carboxylate
CID 70898573
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
benzyl 9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene-9-carboxylate
CID 129067856
benzyl 2-(3-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate;benzyl 2-(3-fluorophenyl)-4-oxopiperidine-1-carboxylate
CID 159080814
tert-butyl 2-(2-propan-2-ylphenyl)pyrrolidine-1-carboxylate
CID 155600402
5-bromo-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 156702328

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate (CID 156889648) is benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate is CC(C)c1ccccc1C1CC(=O)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate?
The InChIKey is FPHGWFYUXMBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16(2)19-10-6-7-11-20(19)21-14-18(24)12-13-23(21)22(25)26-15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3.
What are the key properties of benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate?
benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-2-(2-propan-2-ylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 156889648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).