1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

C23H26N2O3 — CID 162638072

IUPAC1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(C(=O)N2CCCC23CCCN(c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C23H26N2O3/c1-17-5-9-19(10-6-17)24-15-3-13-23(22(24)27)14-4-16-25(23)21(26)18-7-11-20(28-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3
InChIKeySRHKXNNIKCJQBG-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638072) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162638072
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(C(=O)N2CCCC23CCCN(c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C23H26N2O3/c1-17-5-9-19(10-6-17)24-15-3-13-23(22(24)27)14-4-16-25(23)21(26)18-7-11-20(28-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3
InChIKeySRHKXNNIKCJQBG-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313979
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]acetic acid
CID 138514500
1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629767
1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one
CID 134792412
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626511
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
ethyl 3-methoxy-2-[2-(4-methoxyphenyl)-3-oxo-2,5-diazaspiro[3.4]octan-5-yl]propanoate
CID 90330086

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162638072) is 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is COc1ccc(C(=O)N2CCCC23CCCN(c2ccc(C)cc2)C3=O)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SRHKXNNIKCJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-5-9-19(10-6-17)24-15-3-13-23(22(24)27)14-4-16-25(23)21(26)18-7-11-20(28-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 378.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).