ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate

C18H25N3O4 — CID 72914418

IUPACethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NCCN2CCCCC2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-2-25-17(23)13-14-6-8-15(9-7-14)20-18(24)19-10-12-21-11-4-3-5-16(21)22/h6-9H,2-5,10-13H2,1H3,(H2,19,20,24)
InChIKeyFJROAKPCGCDSGM-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.93
Rot. Bonds7

About ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate

ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate (PubChem CID 72914418) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate
PubChem CID72914418
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)NCCN2CCCCC2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-2-25-17(23)13-14-6-8-15(9-7-14)20-18(24)19-10-12-21-11-4-3-5-16(21)22/h6-9H,2-5,10-13H2,1H3,(H2,19,20,24)
InChIKeyFJROAKPCGCDSGM-UHFFFAOYSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
ethyl 3-(2-oxoazepan-1-yl)propanoate
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2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
1-(4-methoxyphenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757854
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
3-methyl-4-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoylamino]phenyl]butanoic acid
CID 21249126
1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 118783157
1-(4-ethylphenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea
CID 8658879
ethyl 2-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethylcarbamoylamino]phenyl]acetate
CID 50822633
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
1-(4-chlorophenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757829
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate (CID 72914418) is ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)NCCN2CCCCC2=O)cc1.
What is the InChIKey of ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate?
The InChIKey is FJROAKPCGCDSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-25-17(23)13-14-6-8-15(9-7-14)20-18(24)19-10-12-21-11-4-3-5-16(21)22/h6-9H,2-5,10-13H2,1H3,(H2,19,20,24).
What are the key properties of ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate?
ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate has a molecular weight of 347.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate is sourced from PubChem (CID 72914418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).