9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one

C23H27N3O2 — CID 162626908

IUPAC9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3C(=O)CCc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-18-4-7-20(8-5-18)25-16-2-12-23(22(25)28)13-3-17-26(23)21(27)9-6-19-10-14-24-15-11-19/h4-5,7-8,10-11,14-15H,2-3,6,9,12-13,16-17H2,1H3
InChIKeyCFUJUPLPIFKHFB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.51
Rot. Bonds4

About 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626908) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626908
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3C(=O)CCc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-18-4-7-20(8-5-18)25-16-2-12-23(22(25)28)13-3-17-26(23)21(27)9-6-19-10-14-24-15-11-19/h4-5,7-8,10-11,14-15H,2-3,6,9,12-13,16-17H2,1H3
InChIKeyCFUJUPLPIFKHFB-UHFFFAOYSA-N
XLogP3.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626511
9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634523
1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313979
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 164699962
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
1-(4-hydroxy-4-methylazepan-1-yl)-3-(4-methylphenyl)propan-1-one
CID 107406662

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162626908) is 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(N2CCCC3(CCCN3C(=O)CCc3ccncc3)C2=O)cc1.
What is the InChIKey of 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CFUJUPLPIFKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-4-7-20(8-5-18)25-16-2-12-23(22(25)28)13-3-17-26(23)21(27)9-6-19-10-14-24-15-11-19/h4-5,7-8,10-11,14-15H,2-3,6,9,12-13,16-17H2,1H3.
What are the key properties of 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 377.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).