1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

C19H23ClN2O2 — CID 163317759

IUPAC1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(Cl)c(C(=O)N2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-4-7-16(20)15(12-13)17(23)22-11-3-9-19(22)8-2-10-21(18(19)24)14-5-6-14/h4,7,12,14H,2-3,5-6,8-11H2,1H3
InChIKeyXZMXBOLENRXYQA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.41
Rot. Bonds2

About 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163317759) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163317759
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(Cl)c(C(=O)N2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-4-7-16(20)15(12-13)17(23)22-11-3-9-19(22)8-2-10-21(18(19)24)14-5-6-14/h4,7,12,14H,2-3,5-6,8-11H2,1H3
InChIKeyXZMXBOLENRXYQA-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-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

9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162629050
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625884
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638280
9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637277
9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631887
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (CID 163317759) is 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(Cl)c(C(=O)N2CCCC23CCCN(C2CC2)C3=O)c1.
What is the InChIKey of 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is XZMXBOLENRXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-4-7-16(20)15(12-13)17(23)22-11-3-9-19(22)8-2-10-21(18(19)24)14-5-6-14/h4,7,12,14H,2-3,5-6,8-11H2,1H3.
What are the key properties of 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 346.86 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163317759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).