8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one

C20H32N4O2 — CID 143404242

IUPAC8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one
SMILESCC1=CC2(CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)C(=O)N1C
InChIInChI=1S/C20H32N4O2/c1-16-14-20(19(26)21(16)2)6-8-22(9-7-20)15-18(25)24-12-10-23(11-13-24)17-4-3-5-17/h14,17H,3-13,15H2,1-2H3
InChIKeyXWXOWTLOMFABAR-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.14
Rot. Bonds3

About 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one

8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one (PubChem CID 143404242) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one.

Molecular Properties

Compound Name8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one
PubChem CID143404242
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one
SMILESCC1=CC2(CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)C(=O)N1C
InChIInChI=1S/C20H32N4O2/c1-16-14-20(19(26)21(16)2)6-8-22(9-7-20)15-18(25)24-12-10-23(11-13-24)17-4-3-5-17/h14,17H,3-13,15H2,1-2H3
InChIKeyXWXOWTLOMFABAR-UHFFFAOYSA-N
XLogP1.14
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one with MolForge

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Related Compounds

buta-1,3-diene;8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one
CID 143404241
1'-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]spiro[1H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-2-one
CID 58826302
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 57442857
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 57442730
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-[4-(2-amino-3-methylbenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442950
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one?
The IUPAC name of 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one (CID 143404242) is 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one.
What is the SMILES notation for 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one?
The canonical SMILES for 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one is CC1=CC2(CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)C(=O)N1C.
What is the InChIKey of 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one?
The InChIKey is XWXOWTLOMFABAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16-14-20(19(26)21(16)2)6-8-22(9-7-20)15-18(25)24-12-10-23(11-13-24)17-4-3-5-17/h14,17H,3-13,15H2,1-2H3.
What are the key properties of 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one?
8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one has a molecular weight of 360.50 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2,3-dimethyl-2,8-diazaspiro[4.5]dec-3-en-1-one is sourced from PubChem (CID 143404242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).