2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one

C17H22F2N2O2 — CID 72902893

IUPAC2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCO)CC2)CN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H22F2N2O2/c18-14-7-13(8-15(19)9-14)11-21-12-17(10-16(21)23)1-3-20(4-2-17)5-6-22/h7-9,22H,1-6,10-12H2
InChIKeyWCEVPWCSTPYRIN-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.77
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72902893) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72902893
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCO)CC2)CN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H22F2N2O2/c18-14-7-13(8-15(19)9-14)11-21-12-17(10-16(21)23)1-3-20(4-2-17)5-6-22/h7-9,22H,1-6,10-12H2
InChIKeyWCEVPWCSTPYRIN-UHFFFAOYSA-N
XLogP1.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one 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

N-benzyl-1-(4-fluorobenzyl)-N-(2-hydroxyethyl)-4-piperidinecarboxamide
CID 1343462
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-piperidinecarboxamide
CID 24792018
2-(Cyclopentylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171090
2-Benzyl-8-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 117890825
[1-(2-Fluorobenzyl)piperidin-4-yl](pyrrolidin-1-yl)methanone
CID 883953
[1-(3-Fluorobenzyl)piperidin-3-yl](pyrrolidin-1-yl)methanone
CID 5154601
2-Cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171184
7-(4-fluorobenzyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 45175774
2-(Cyclopentylcarbonyl)-7-(2,3-difluorobenzyl)-2,7-diazaspiro[4.5]decane
CID 45182590
7-(2,3-Difluorobenzyl)-2-(4-pentenoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45201470
2-Cyclopentyl-7-(3,4-difluorobenzyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45214580
7-(2,3-Difluorobenzyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233849

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72902893) is 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CCO)CC2)CN1Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WCEVPWCSTPYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-14-7-13(8-15(19)9-14)11-21-12-17(10-16(21)23)1-3-20(4-2-17)5-6-22/h7-9,22H,1-6,10-12H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 324.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72902893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).