3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one

C14H24N2O3 — CID 63940202

IUPAC3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CCC1CCCCO1
InChIInChI=1S/C14H24N2O3/c1-2-12-14(18)15-8-9-16(12)13(17)7-6-11-5-3-4-10-19-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyKFMNYLGPMTZIRN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds4

About 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one

3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one (PubChem CID 63940202) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
PubChem CID63940202
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CCC1CCCCO1
InChIInChI=1S/C14H24N2O3/c1-2-12-14(18)15-8-9-16(12)13(17)7-6-11-5-3-4-10-19-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyKFMNYLGPMTZIRN-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
1-(2-methylpiperazin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63951169
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
1-[3-(oxan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085472
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
CID 63362415
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one (CID 63940202) is 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)CCC1CCCCO1.
What is the InChIKey of 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one?
The InChIKey is KFMNYLGPMTZIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-12-14(18)15-8-9-16(12)13(17)7-6-11-5-3-4-10-19-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one?
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 63940202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).