2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone

C23H27N3O — CID 141337202

IUPAC2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(N2Cc3ccccc3C2)cc1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C23H27N3O/c27-22(25-13-11-23(17-25)10-3-12-24-16-23)18-6-8-21(9-7-18)26-14-19-4-1-2-5-20(19)15-26/h1-2,4-9,24H,3,10-17H2
InChIKeyJAOFERFYPFUXSV-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.42
Rot. Bonds2

About 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone

2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone (PubChem CID 141337202) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone
PubChem CID141337202
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(N2Cc3ccccc3C2)cc1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C23H27N3O/c27-22(25-13-11-23(17-25)10-3-12-24-16-23)18-6-8-21(9-7-18)26-14-19-4-1-2-5-20(19)15-26/h1-2,4-9,24H,3,10-17H2
InChIKeyJAOFERFYPFUXSV-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone 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

2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
CID 141337050
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
CID 56752764
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone (CID 141337202) is 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone is O=C(c1ccc(N2Cc3ccccc3C2)cc1)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone?
The InChIKey is JAOFERFYPFUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-22(25-13-11-23(17-25)10-3-12-24-16-23)18-6-8-21(9-7-18)26-14-19-4-1-2-5-20(19)15-26/h1-2,4-9,24H,3,10-17H2.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone?
2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone has a molecular weight of 361.49 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone is sourced from PubChem (CID 141337202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).