9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one

C19H22F2N2O3 — CID 131686147

IUPAC9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CC(c2ccccc2)C2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1=O
InChIInChI=1S/C19H22F2N2O3/c1-22-11-15(13-5-3-2-4-6-13)19(17(22)25)12-23(7-8-26-19)16(24)14-9-18(20,21)10-14/h2-6,14-15H,7-12H2,1H3
InChIKeyNZKLTQPKSDUJMM-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.89
Rot. Bonds2

About 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one

9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131686147) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131686147
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CC(c2ccccc2)C2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1=O
InChIInChI=1S/C19H22F2N2O3/c1-22-11-15(13-5-3-2-4-6-13)19(17(22)25)12-23(7-8-26-19)16(24)14-9-18(20,21)10-14/h2-6,14-15H,7-12H2,1H3
InChIKeyNZKLTQPKSDUJMM-UHFFFAOYSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(4-methylphenyl)acetyl]-4-phenyl-2-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131680924
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131680937
9-(3-chloro-2-methylbenzoyl)-4-phenyl-2-(pyridin-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131697434
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452819
8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685023
2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 131683528
2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-9-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131672466
(3,3-difluorocyclobutyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131690340
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 176702301
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812

Frequently Asked Questions

What is the IUPAC name of 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one (CID 131686147) is 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one is CN1CC(c2ccccc2)C2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1=O.
What is the InChIKey of 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is NZKLTQPKSDUJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-22-11-15(13-5-3-2-4-6-13)19(17(22)25)12-23(7-8-26-19)16(24)14-9-18(20,21)10-14/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 364.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131686147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).