3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one

C11H18N2O3 — CID 63602606

IUPAC3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1CCOC1
InChIInChI=1S/C11H18N2O3/c1-2-9-10(14)12-4-5-13(9)11(15)8-3-6-16-7-8/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyOGOMUXUACLCRMN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.24
Rot. Bonds2

About 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one

3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one (PubChem CID 63602606) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
PubChem CID63602606
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1CCOC1
InChIInChI=1S/C11H18N2O3/c1-2-9-10(14)12-4-5-13(9)11(15)8-3-6-16-7-8/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyOGOMUXUACLCRMN-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one
CID 120630858
4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
CID 114094362
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
4-(cyclopentanecarboximidoyl)-3-ethylpiperazin-2-one
CID 63603253
4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]-3-ethylpiperazin-2-one
CID 46977265

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one (CID 63602606) is 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)C1CCOC1.
What is the InChIKey of 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one?
The InChIKey is OGOMUXUACLCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-9-10(14)12-4-5-13(9)11(15)8-3-6-16-7-8/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one?
3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63602606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).