8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C21H27FN2O3 — CID 131685000

IUPAC8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2C(=O)CCC23CCN(C(=O)C2(F)CCC2)CC3)cc1
InChIInChI=1S/C21H27FN2O3/c1-27-17-5-3-16(4-6-17)15-24-18(25)7-10-20(24)11-13-23(14-12-20)19(26)21(22)8-2-9-21/h3-6H,2,7-15H2,1H3
InChIKeyBDNNAQMYHDSNDZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.07
Rot. Bonds4

About 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131685000) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131685000
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2C(=O)CCC23CCN(C(=O)C2(F)CCC2)CC3)cc1
InChIInChI=1S/C21H27FN2O3/c1-27-17-5-3-16(4-6-17)15-24-18(25)7-10-20(24)11-13-23(14-12-20)19(26)21(22)8-2-9-21/h3-6H,2,7-15H2,1H3
InChIKeyBDNNAQMYHDSNDZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681380
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131684846
8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873107
1-benzyl-8-(4-fluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42371262
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828

Frequently Asked Questions

What is the IUPAC name of 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 131685000) is 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is COc1ccc(CN2C(=O)CCC23CCN(C(=O)C2(F)CCC2)CC3)cc1.
What is the InChIKey of 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BDNNAQMYHDSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-27-17-5-3-16(4-6-17)15-24-18(25)7-10-20(24)11-13-23(14-12-20)19(26)21(22)8-2-9-21/h3-6H,2,7-15H2,1H3.
What are the key properties of 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 374.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131685000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).