3-ethyl-4-(2-oxopropyl)piperazin-2-one

C9H16N2O2 — CID 63600634

IUPAC3-ethyl-4-(2-oxopropyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(C)=O
InChIInChI=1S/C9H16N2O2/c1-3-8-9(13)10-4-5-11(8)6-7(2)12/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyUFRMABSQPDLDHQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.21
Rot. Bonds3

About 3-ethyl-4-(2-oxopropyl)piperazin-2-one

3-ethyl-4-(2-oxopropyl)piperazin-2-one (PubChem CID 63600634) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-ethyl-4-(2-oxopropyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-oxopropyl)piperazin-2-one
PubChem CID63600634
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-ethyl-4-(2-oxopropyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(C)=O
InChIInChI=1S/C9H16N2O2/c1-3-8-9(13)10-4-5-11(8)6-7(2)12/h8H,3-6H2,1-2H3,(H,10,13)
InChIKeyUFRMABSQPDLDHQ-UHFFFAOYSA-N
XLogP-0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723
3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
CID 120981528
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
CID 63601149
N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95209721
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-oxopropyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-oxopropyl)piperazin-2-one (CID 63600634) is 3-ethyl-4-(2-oxopropyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-oxopropyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-oxopropyl)piperazin-2-one is CCC1C(=O)NCCN1CC(C)=O.
What is the InChIKey of 3-ethyl-4-(2-oxopropyl)piperazin-2-one?
The InChIKey is UFRMABSQPDLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-8-9(13)10-4-5-11(8)6-7(2)12/h8H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 3-ethyl-4-(2-oxopropyl)piperazin-2-one?
3-ethyl-4-(2-oxopropyl)piperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-oxopropyl)piperazin-2-one is sourced from PubChem (CID 63600634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).