2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one

C18H24F2N2O2 — CID 70718496

IUPAC2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCCO)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H24F2N2O2/c19-15-3-2-14(10-16(15)20)12-22-13-18(11-17(22)24)4-7-21(8-5-18)6-1-9-23/h2-3,10,23H,1,4-9,11-13H2
InChIKeyPCUBYBKLBGGBAL-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.16
Rot. Bonds5

About 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70718496) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70718496
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCCO)CC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H24F2N2O2/c19-15-3-2-14(10-16(15)20)12-22-13-18(11-17(22)24)4-7-21(8-5-18)6-1-9-23/h2-3,10,23H,1,4-9,11-13H2
InChIKeyPCUBYBKLBGGBAL-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70718496) is 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CCCO)CC2)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PCUBYBKLBGGBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c19-15-3-2-14(10-16(15)20)12-22-13-18(11-17(22)24)4-7-21(8-5-18)6-1-9-23/h2-3,10,23H,1,4-9,11-13H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 338.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70718496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).