4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one

C15H24N2O5S — CID 131933192

IUPAC4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)OC23CCCC3)CC1
InChIInChI=1S/C15H24N2O5S/c1-2-23(20,21)17-9-7-16(8-10-17)14(19)12-11-13(18)22-15(12)5-3-4-6-15/h12H,2-11H2,1H3
InChIKeyJJYADULIPZSVOH-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.36
Rot. Bonds3

About 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one

4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 131933192) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID131933192
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)OC23CCCC3)CC1
InChIInChI=1S/C15H24N2O5S/c1-2-23(20,21)17-9-7-16(8-10-17)14(19)12-11-13(18)22-15(12)5-3-4-6-15/h12H,2-11H2,1H3
InChIKeyJJYADULIPZSVOH-UHFFFAOYSA-N
XLogP0.36
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131892835
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
4-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 135100856
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
(4S)-4-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 125176576
N,N-diethyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2836718
2,3-dimethyl-7-[(4R)-2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 125175392
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one (CID 131933192) is 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one is CCS(=O)(=O)N1CCN(C(=O)C2CC(=O)OC23CCCC3)CC1.
What is the InChIKey of 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is JJYADULIPZSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-2-23(20,21)17-9-7-16(8-10-17)14(19)12-11-13(18)22-15(12)5-3-4-6-15/h12H,2-11H2,1H3.
What are the key properties of 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 344.43 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 131933192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).