10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C19H27FN2O2 — CID 131681594

IUPAC10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCC(C)CN1CC2(COCCN(Cc3cccc(F)c3)C2)CC1=O
InChIInChI=1S/C19H27FN2O2/c1-15(2)10-22-13-19(9-18(22)23)12-21(6-7-24-14-19)11-16-4-3-5-17(20)8-16/h3-5,8,15H,6-7,9-14H2,1-2H3
InChIKeyBNOBZJBICFFFTM-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.53
Rot. Bonds4

About 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131681594) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131681594
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCC(C)CN1CC2(COCCN(Cc3cccc(F)c3)C2)CC1=O
InChIInChI=1S/C19H27FN2O2/c1-15(2)10-22-13-19(9-18(22)23)12-21(6-7-24-14-19)11-16-4-3-5-17(20)8-16/h3-5,8,15H,6-7,9-14H2,1-2H3
InChIKeyBNOBZJBICFFFTM-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679011
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
2-(2-methylpropyl)-10-[[3-(trifluoromethyl)phenyl]methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155868091
10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678902
2-[(3-fluorophenyl)methyl]-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131647798
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
2-benzyl-10-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679025
10-[(2-methylphenyl)methyl]-2-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678761
2-(2-methoxyethyl)-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679450
2-methyl-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679057
N-[(3-fluorophenyl)methyl]-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155833299
4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 72930130

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131681594) is 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is CC(C)CN1CC2(COCCN(Cc3cccc(F)c3)C2)CC1=O.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is BNOBZJBICFFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-15(2)10-22-13-19(9-18(22)23)12-21(6-7-24-14-19)11-16-4-3-5-17(20)8-16/h3-5,8,15H,6-7,9-14H2,1-2H3.
What are the key properties of 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 334.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131681594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).