(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone

C16H21NO3 — CID 122135977

IUPAC(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(O)C23CCCC3)c1
InChIInChI=1S/C16H21NO3/c1-20-13-6-4-5-12(11-13)15(19)17-10-7-14(18)16(17)8-2-3-9-16/h4-6,11,14,18H,2-3,7-10H2,1H3
InChIKeyQVJBBUBJNRATDH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds2

About (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone

(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 122135977) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone
PubChem CID122135977
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(O)C23CCCC3)c1
InChIInChI=1S/C16H21NO3/c1-20-13-6-4-5-12(11-13)15(19)17-10-7-14(18)16(17)8-2-3-9-16/h4-6,11,14,18H,2-3,7-10H2,1H3
InChIKeyQVJBBUBJNRATDH-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)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

(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637277
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3986308
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone (CID 122135977) is (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(O)C23CCCC3)c1.
What is the InChIKey of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is QVJBBUBJNRATDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-13-6-4-5-12(11-13)15(19)17-10-7-14(18)16(17)8-2-3-9-16/h4-6,11,14,18H,2-3,7-10H2,1H3.
What are the key properties of (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone?
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 122135977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).