benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate

C15H20N2O3 — CID 110722771

IUPACbenzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
SMILESO=C(NCCN1CCCCC1=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14-8-4-5-10-17(14)11-9-16-15(19)20-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,19)
InChIKeyVQQILHJXPLRJJB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds5

About benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate

benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate (PubChem CID 110722771) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
PubChem CID110722771
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
SMILESO=C(NCCN1CCCCC1=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14-8-4-5-10-17(14)11-9-16-15(19)20-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,19)
InChIKeyVQQILHJXPLRJJB-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-[2,4,6-trioxo-3,5-bis[2-(phenylmethoxycarbonylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]carbamate
CID 118585539
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
benzyl N-[2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]carbamate
CID 167312043
4-O-benzyl 1-O-[2-(2-oxopiperidin-1-yl)ethyl] 2-methylidenebutanedioate
CID 100913900
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
(4-methylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate;hydrochloride
CID 138396593
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
CID 137333145
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 90651689

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate (CID 110722771) is benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate is O=C(NCCN1CCCCC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate?
The InChIKey is VQQILHJXPLRJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14-8-4-5-10-17(14)11-9-16-15(19)20-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,19).
What are the key properties of benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate?
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 110722771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).