8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C22H33N3O4 — CID 50757802

IUPAC8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H33N3O4/c1-16-19(22(29-21(16)28)8-10-23(11-9-22)17(2)26)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h18H,3-15H2,1-2H3
InChIKeyVTHWDXHXUBGUNY-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.72
Rot. Bonds2

About 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 50757802) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID50757802
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H33N3O4/c1-16-19(22(29-21(16)28)8-10-23(11-9-22)17(2)26)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h18H,3-15H2,1-2H3
InChIKeyVTHWDXHXUBGUNY-UHFFFAOYSA-N
XLogP1.72
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one with MolForge

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 20906660
8-benzoyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 53212527
ethyl 1-(8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbonyl)piperidine-4-carboxylate
CID 50789892
3-methyl-8-(oxan-4-yl)-4-[7-(trifluoromethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 70812665
1-[5-[(2R)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352140
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
3-methyl-4-[5-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 70812637
1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352136
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 110098556
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 50757802) is 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is VTHWDXHXUBGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-16-19(22(29-21(16)28)8-10-23(11-9-22)17(2)26)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h18H,3-15H2,1-2H3.
What are the key properties of 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 403.52 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 50757802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).