2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one

C18H25FN2O2 — CID 134076632

IUPAC2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCN1CCCCC12CC(=O)N(Cc1cccc(F)c1)C2
InChIInChI=1S/C18H25FN2O2/c1-23-10-9-21-8-3-2-7-18(21)12-17(22)20(14-18)13-15-5-4-6-16(19)11-15/h4-6,11H,2-3,7-10,12-14H2,1H3
InChIKeyHHEZFRVLUYRXKH-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one

2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 134076632) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID134076632
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCN1CCCCC12CC(=O)N(Cc1cccc(F)c1)C2
InChIInChI=1S/C18H25FN2O2/c1-23-10-9-21-8-3-2-7-18(21)12-17(22)20(14-18)13-15-5-4-6-16(19)11-15/h4-6,11H,2-3,7-10,12-14H2,1H3
InChIKeyHHEZFRVLUYRXKH-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
3-[6-(2-methoxyethyl)-3-oxo-2,6-diazaspiro[4.5]decan-2-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 118744401
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873955
1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
CID 88919955
2-[(3-fluorophenyl)methyl]-9-(3-methoxypropanoyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075130
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686668
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one (CID 134076632) is 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one is COCCN1CCCCC12CC(=O)N(Cc1cccc(F)c1)C2.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is HHEZFRVLUYRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-10-9-21-8-3-2-7-18(21)12-17(22)20(14-18)13-15-5-4-6-16(19)11-15/h4-6,11H,2-3,7-10,12-14H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one?
2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 320.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134076632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).