benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate

C14H18N2O3 — CID 166139678

IUPACbenzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
SMILESO=C1CC(CNC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C14H18N2O3/c17-13-8-12(6-7-15-13)9-16-14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H,16,18)
InChIKeyDQOHKGNFJORTLK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds4

About benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate

benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate (PubChem CID 166139678) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
PubChem CID166139678
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
SMILESO=C1CC(CNC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C14H18N2O3/c17-13-8-12(6-7-15-13)9-16-14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H,16,18)
InChIKeyDQOHKGNFJORTLK-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate
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benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
benzyl N-[(2-oxopyrrolidin-3-yl)amino]carbamate
CID 174500033
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate (CID 166139678) is benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate is O=C1CC(CNC(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate?
The InChIKey is DQOHKGNFJORTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-8-12(6-7-15-13)9-16-14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)(H,16,18).
What are the key properties of benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate?
benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 166139678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).