benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate

C14H18N2O3 — CID 58782089

IUPACbenzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
SMILESCN1CCCC(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-16-9-5-8-12(13(16)17)15-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)
InChIKeyWTGPTZCLNFNZJL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds3

About benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate

benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate (PubChem CID 58782089) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
PubChem CID58782089
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
SMILESCN1CCCC(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-16-9-5-8-12(13(16)17)15-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)
InChIKeyWTGPTZCLNFNZJL-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
benzyl N-(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-5-yl)carbamate
CID 122401327
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
CID 58778178
ethyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]oxyacetate
CID 101191342
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
(3S,6S)-5-oxo-6-(phenylmethoxycarbonylamino)-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylic acid
CID 58573005
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 142159179
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 11290557

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate?
The IUPAC name of benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate (CID 58782089) is benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate is CN1CCCC(NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate?
The InChIKey is WTGPTZCLNFNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-9-5-8-12(13(16)17)15-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18).
What are the key properties of benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate?
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate is sourced from PubChem (CID 58782089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).