ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate

C15H20N2O4 — CID 7687938

IUPACethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(19)16-11-7-8-13(20-2)12(10-11)17-9-5-4-6-14(17)18/h7-8,10H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyTVTVSNZDUMVZEI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.78
Rot. Bonds4

About ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate

ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate (PubChem CID 7687938) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
PubChem CID7687938
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1
InChIInChI=1S/C15H20N2O4/c1-3-21-15(19)16-11-7-8-13(20-2)12(10-11)17-9-5-4-6-14(17)18/h7-8,10H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyTVTVSNZDUMVZEI-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
1-(4-ethoxyphenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076214
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 55691944
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate (CID 7687938) is ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate is CCOC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1.
What is the InChIKey of ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate?
The InChIKey is TVTVSNZDUMVZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-21-15(19)16-11-7-8-13(20-2)12(10-11)17-9-5-4-6-14(17)18/h7-8,10H,3-6,9H2,1-2H3,(H,16,19).
What are the key properties of ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate?
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate is sourced from PubChem (CID 7687938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).