2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone

C17H24N2O2 — CID 102849920

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(CCCNC3)C2)c(O)c1
InChIInChI=1S/C17H24N2O2/c1-13-4-5-14(15(20)10-13)16(21)19-9-3-7-17(12-19)6-2-8-18-11-17/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3
InChIKeyBSELFNNVPDYVEA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone (PubChem CID 102849920) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
PubChem CID102849920
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(CCCNC3)C2)c(O)c1
InChIInChI=1S/C17H24N2O2/c1-13-4-5-14(15(20)10-13)16(21)19-9-3-7-17(12-19)6-2-8-18-11-17/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3
InChIKeyBSELFNNVPDYVEA-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)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-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 102849821
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
CID 154885407
[(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
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 110485292
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide
CID 102850523
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone (CID 102849920) is 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC3(CCCNC3)C2)c(O)c1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone?
The InChIKey is BSELFNNVPDYVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-4-5-14(15(20)10-13)16(21)19-9-3-7-17(12-19)6-2-8-18-11-17/h4-5,10,18,20H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 102849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).