10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C27H31FN2O3 — CID 132772818

IUPAC10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)CN1c1ccccc1
InChIInChI=1S/C27H31FN2O3/c28-22-9-6-8-21(18-22)27(13-4-5-14-27)25(32)29-16-7-12-26(15-17-29)20-30(24(31)19-33-26)23-10-2-1-3-11-23/h1-3,6,8-11,18H,4-5,7,12-17,19-20H2
InChIKeyGBRSLNANAKOMBU-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.45
Rot. Bonds3

About 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 132772818) has the molecular formula C27H31FN2O3 and a molecular weight of 450.55 g/mol. Its IUPAC name is 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID132772818
Molecular FormulaC27H31FN2O3
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)CN1c1ccccc1
InChIInChI=1S/C27H31FN2O3/c28-22-9-6-8-21(18-22)27(13-4-5-14-27)25(32)29-16-7-12-26(15-17-29)20-30(24(31)19-33-26)23-10-2-1-3-11-23/h1-3,6,8-11,18H,4-5,7,12-17,19-20H2
InChIKeyGBRSLNANAKOMBU-UHFFFAOYSA-N
XLogP4.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125016171
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986368
(5R)-2-[4-(3-methylphenyl)oxane-4-carbonyl]-9-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 124970717
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999467
4-(3-fluorophenyl)-9-(2-methylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985831
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
4-(3-fluorophenyl)-10-(6-methylpyridine-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986326
4-(3-fluorophenyl)-10-(1-methylimidazole-2-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986285
4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011

Frequently Asked Questions

What is the IUPAC name of 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 132772818) is 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1COC2(CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)CN1c1ccccc1.
What is the InChIKey of 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is GBRSLNANAKOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O3/c28-22-9-6-8-21(18-22)27(13-4-5-14-27)25(32)29-16-7-12-26(15-17-29)20-30(24(31)19-33-26)23-10-2-1-3-11-23/h1-3,6,8-11,18H,4-5,7,12-17,19-20H2.
What are the key properties of 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 450.55 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 132772818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).