4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one

C12H18N2O3 — CID 71926647

IUPAC4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C12H18N2O3/c1-2-9-11(15)13-6-7-14(9)12(16)10-5-3-4-8-17-10/h5,9H,2-4,6-8H2,1H3,(H,13,15)
InChIKeyHUSILLNTANBDQM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.42
Rot. Bonds2

About 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 71926647) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one
PubChem CID71926647
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C12H18N2O3/c1-2-9-11(15)13-6-7-14(9)12(16)10-5-3-4-8-17-10/h5,9H,2-4,6-8H2,1H3,(H,13,15)
InChIKeyHUSILLNTANBDQM-UHFFFAOYSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 71998166
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
CID 63600884
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
CID 63602606

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one (CID 71926647) is 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)C1=CCCCO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is HUSILLNTANBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-9-11(15)13-6-7-14(9)12(16)10-5-3-4-8-17-10/h5,9H,2-4,6-8H2,1H3,(H,13,15).
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one?
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 71926647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).