(1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate

C15H19NO3 — CID 132574157

IUPAC(1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate
SMILESCC(OC(=O)N1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-12(14(17)13-8-4-2-5-9-13)19-15(18)16-10-6-3-7-11-16/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyNQVNXVICBUIYPS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.88
Rot. Bonds3

About (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate

(1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate (PubChem CID 132574157) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate
PubChem CID132574157
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate
SMILESCC(OC(=O)N1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-12(14(17)13-8-4-2-5-9-13)19-15(18)16-10-6-3-7-11-16/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyNQVNXVICBUIYPS-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenaperone
CID 198061
1-Methylpiperidin-4-yl phenylacetate
CID 933463
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CID 3049455
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CID 3049457
Mobecarb
CID 27362
Ethyl 4-(2,5-difluorobenzoyl)piperidine-1-carboxylate
CID 53513508
Ethyl 4-(4-fluorobenzoyl)-1-piperidinecarboxylate
CID 23326081
(1,1-difluoro-3-oxo-3-phenylprop-1-en-2-yl) N,N-diethylcarbamate
CID 10956981
[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
CID 138963596
[1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] N,N-dibutylcarbamate
CID 164679587
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
tert-butyl(2R)-2-benzoylmorpholine-4-carboxylate
CID 68598384

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate (CID 132574157) is (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate is CC(OC(=O)N1CCCCC1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate?
The InChIKey is NQVNXVICBUIYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(14(17)13-8-4-2-5-9-13)19-15(18)16-10-6-3-7-11-16/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate?
(1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) piperidine-1-carboxylate is sourced from PubChem (CID 132574157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).