tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate

C16H22N2O3 — CID 118610098

IUPACtert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)17-12-9-10-18(14(19)11-12)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)
InChIKeyYPCQVYUHPRTOQE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate

tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate (PubChem CID 118610098) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate
PubChem CID118610098
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)17-12-9-10-18(14(19)11-12)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)
InChIKeyYPCQVYUHPRTOQE-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(3R)-1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate (CID 118610098) is tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate?
The InChIKey is YPCQVYUHPRTOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)17-12-9-10-18(14(19)11-12)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate?
tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate has a molecular weight of 290.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate is sourced from PubChem (CID 118610098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).