(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H21FN2O3 — CID 95720116

IUPAC(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@]2(CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)OC1=O
InChIInChI=1S/C18H21FN2O3/c1-20-11-17(24-16(20)23)7-2-10-21(12-17)15(22)18(8-9-18)13-3-5-14(19)6-4-13/h3-6H,2,7-12H2,1H3/t17-/m0/s1
InChIKeyIAGYGAIGDRNRFU-KRWDZBQOSA-N
MW332.38 g/mol
LogP2.30
Rot. Bonds2

About (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95720116) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95720116
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@]2(CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)OC1=O
InChIInChI=1S/C18H21FN2O3/c1-20-11-17(24-16(20)23)7-2-10-21(12-17)15(22)18(8-9-18)13-3-5-14(19)6-4-13/h3-6H,2,7-12H2,1H3/t17-/m0/s1
InChIKeyIAGYGAIGDRNRFU-KRWDZBQOSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722297
2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72848121
(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716535
(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125168497
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid
CID 56881635
(5R)-9-[4-(4-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728573
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99981305
N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118773136
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719735
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 71856530

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95720116) is (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1C[C@]2(CCCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)OC1=O.
What is the InChIKey of (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is IAGYGAIGDRNRFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-20-11-17(24-16(20)23)7-2-10-21(12-17)15(22)18(8-9-18)13-3-5-14(19)6-4-13/h3-6H,2,7-12H2,1H3/t17-/m0/s1.
What are the key properties of (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 332.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95720116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).