1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C19H25FN2O3 — CID 163306693

IUPAC1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)c2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C19H25FN2O3/c1-14-13-15(5-6-16(14)20)17(23)22-10-4-8-19(22)7-3-9-21(18(19)24)11-12-25-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyXEBFYIVLRMODCC-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163306693) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163306693
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)c2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C19H25FN2O3/c1-14-13-15(5-6-16(14)20)17(23)22-10-4-8-19(22)7-3-9-21(18(19)24)11-12-25-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyXEBFYIVLRMODCC-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
1-(4-fluoro-2-methoxybenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163312104
1-(4,6-dimethylpyrimidine-5-carbonyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162636176
9-(2-methoxyethyl)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162632849
1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162632388
9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626207
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094
1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629419
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631408
ethyl 1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxylate
CID 46942874
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163306693) is 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2C(=O)c2ccc(F)c(C)c2)C1=O.
What is the InChIKey of 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is XEBFYIVLRMODCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-14-13-15(5-6-16(14)20)17(23)22-10-4-8-19(22)7-3-9-21(18(19)24)11-12-25-2/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 348.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163306693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).