2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone

C18H26N2O2 — CID 131679295

IUPAC2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
SMILESCN1CCCC12CCCN(C(=O)Cc1cccc(O)c1)CC2
InChIInChI=1S/C18H26N2O2/c1-19-10-3-7-18(19)8-4-11-20(12-9-18)17(22)14-15-5-2-6-16(21)13-15/h2,5-6,13,21H,3-4,7-12,14H2,1H3
InChIKeyFVELSOXPPBVGEL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.41
Rot. Bonds2

About 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone

2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone (PubChem CID 131679295) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
PubChem CID131679295
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone
SMILESCN1CCCC12CCCN(C(=O)Cc1cccc(O)c1)CC2
InChIInChI=1S/C18H26N2O2/c1-19-10-3-7-18(19)8-4-11-20(12-9-18)17(22)14-15-5-2-6-16(21)13-15/h2,5-6,13,21H,3-4,7-12,14H2,1H3
InChIKeyFVELSOXPPBVGEL-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone 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

1-[(4S)-4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]azepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 125026140
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 75518815
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
2-(3-hydroxyphenyl)-1-(1-thieno[3,2-d]pyrimidin-4-yl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155868106
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
CID 66085297

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone (CID 131679295) is 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone is CN1CCCC12CCCN(C(=O)Cc1cccc(O)c1)CC2.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone?
The InChIKey is FVELSOXPPBVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-10-3-7-18(19)8-4-11-20(12-9-18)17(22)14-15-5-2-6-16(21)13-15/h2,5-6,13,21H,3-4,7-12,14H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone?
2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)ethanone is sourced from PubChem (CID 131679295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).