9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

C23H32N2O4 — CID 162629049

IUPAC9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)ccc1C
InChIInChI=1S/C23H32N2O4/c1-16-5-6-17(15-20(16)29-2)21(27)25-14-4-12-23(25)11-3-13-24(22(23)28)18-7-9-19(26)10-8-18/h5-6,15,18-19,26H,3-4,7-14H2,1-2H3
InChIKeyZFGACSPVXUMHRB-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.90
Rot. Bonds3

About 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629049) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629049
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)ccc1C
InChIInChI=1S/C23H32N2O4/c1-16-5-6-17(15-20(16)29-2)21(27)25-14-4-12-23(25)11-3-13-24(22(23)28)18-7-9-19(26)10-8-18/h5-6,15,18-19,26H,3-4,7-14H2,1-2H3
InChIKeyZFGACSPVXUMHRB-UHFFFAOYSA-N
XLogP2.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-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-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637277
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635318
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759
9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631887
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162629050
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625884

Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162629049) is 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is COc1cc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)ccc1C.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ZFGACSPVXUMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-16-5-6-17(15-20(16)29-2)21(27)25-14-4-12-23(25)11-3-13-24(22(23)28)18-7-9-19(26)10-8-18/h5-6,15,18-19,26H,3-4,7-14H2,1-2H3.
What are the key properties of 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 400.52 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).