3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one

C14H19N3O2 — CID 63604913

IUPAC3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccccc1NC
InChIInChI=1S/C14H19N3O2/c1-3-12-13(18)16-8-9-17(12)14(19)10-6-4-5-7-11(10)15-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyCVUCQEWZNZCZRO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.08
Rot. Bonds3

About 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one

3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one (PubChem CID 63604913) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
PubChem CID63604913
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccccc1NC
InChIInChI=1S/C14H19N3O2/c1-3-12-13(18)16-8-9-17(12)14(19)10-6-4-5-7-11(10)15-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyCVUCQEWZNZCZRO-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
3-ethyl-4-[3-fluoro-2-(methylamino)benzoyl]piperazin-2-one
CID 63604442
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
CID 63603518
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
CID 91768233

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one (CID 63604913) is 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccccc1NC.
What is the InChIKey of 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one?
The InChIKey is CVUCQEWZNZCZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-12-13(18)16-8-9-17(12)14(19)10-6-4-5-7-11(10)15-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one?
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one is sourced from PubChem (CID 63604913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).