4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one

C21H25ClN2O3 — CID 10715343

IUPAC4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C2(CCCCC2)OC1=O
InChIInChI=1S/C21H25ClN2O3/c1-15-18(21(27-20(15)26)8-3-2-4-9-21)19(25)24-12-10-23(11-13-24)17-7-5-6-16(22)14-17/h5-7,14H,2-4,8-13H2,1H3
InChIKeyMOIMSMLWKHRWHM-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.56
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 10715343) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID10715343
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C2(CCCCC2)OC1=O
InChIInChI=1S/C21H25ClN2O3/c1-15-18(21(27-20(15)26)8-3-2-4-9-21)19(25)24-12-10-23(11-13-24)17-7-5-6-16(22)14-17/h5-7,14H,2-4,8-13H2,1H3
InChIKeyMOIMSMLWKHRWHM-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-8-propan-2-yl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 66551234
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
CID 4870406
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 110691904
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carbonyl chloride
CID 13082976
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1005082
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 10715343) is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one is CC1=C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C2(CCCCC2)OC1=O.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is MOIMSMLWKHRWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-15-18(21(27-20(15)26)8-3-2-4-9-21)19(25)24-12-10-23(11-13-24)17-7-5-6-16(22)14-17/h5-7,14H,2-4,8-13H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one?
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 388.90 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 10715343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).