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

C17H20F2N2O3 — CID 72878571

IUPAC2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CO)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C17H20F2N2O3/c18-13-5-12(6-14(19)7-13)9-21-11-17(8-15(21)23)1-3-20(4-2-17)16(24)10-22/h5-7,22H,1-4,8-11H2
InChIKeyFZXGRXLIRURJQV-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.30
Rot. Bonds3

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

2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72878571) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72878571
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CO)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C17H20F2N2O3/c18-13-5-12(6-14(19)7-13)9-21-11-17(8-15(21)23)1-3-20(4-2-17)16(24)10-22/h5-7,22H,1-4,8-11H2
InChIKeyFZXGRXLIRURJQV-UHFFFAOYSA-N
XLogP1.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-Cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45171184
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
7-(3,4-difluorobenzyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 45242700
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56711070
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56715410
9-(3,5-Difluorobenzyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713827
2-(3,4-Difluorobenzyl)-8-(3-hydroxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70718496
2-(3,5-Difluorobenzyl)-8-isopropyl-2,8-diazaspiro[4.5]decan-3-one
CID 72884752

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72878571) is 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one is O=C(CO)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FZXGRXLIRURJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-13-5-12(6-14(19)7-13)9-21-11-17(8-15(21)23)1-3-20(4-2-17)16(24)10-22/h5-7,22H,1-4,8-11H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 338.35 g/mol, XLogP of 1.30, 3 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-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72878571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).