2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone

C16H22N2O2 — CID 56756958

IUPAC2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-12-3-4-14(19)13(9-12)15(20)18-8-6-16(11-18)5-2-7-17-10-16/h3-4,9,17,19H,2,5-8,10-11H2,1H3
InChIKeyNXCAPQZYYFIYAA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds1

About 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone

2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 56756958) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone
PubChem CID56756958
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-12-3-4-14(19)13(9-12)15(20)18-8-6-16(11-18)5-2-7-17-10-16/h3-4,9,17,19H,2,5-8,10-11H2,1H3
InChIKeyNXCAPQZYYFIYAA-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-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

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone (CID 56756958) is 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)N2CCC3(CCCNC3)C2)c1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is NXCAPQZYYFIYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-3-4-14(19)13(9-12)15(20)18-8-6-16(11-18)5-2-7-17-10-16/h3-4,9,17,19H,2,5-8,10-11H2,1H3.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone?
2,9-diazaspiro[4.5]decan-2-yl-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 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-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 56756958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).