N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide

C14H19N3O3 — CID 107433442

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-11-4-2-10(3-5-11)6-7-15-14(19)12-8-17-13(18)9-16-12/h2-5,12,16H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyPMORMBRASQIFAT-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.56
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107433442) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107433442
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-11-4-2-10(3-5-11)6-7-15-14(19)12-8-17-13(18)9-16-12/h2-5,12,16H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyPMORMBRASQIFAT-UHFFFAOYSA-N
XLogP-0.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436261
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
CID 107436034
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
CID 107435769
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107433442) is N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide is COc1ccc(CCNC(=O)C2CNC(=O)CN2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is PMORMBRASQIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-11-4-2-10(3-5-11)6-7-15-14(19)12-8-17-13(18)9-16-12/h2-5,12,16H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).