2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C21H27FN2O3 — CID 72848121

IUPAC2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C1=O
InChIInChI=1S/C21H27FN2O3/c1-23-11-2-7-20(18(23)25)8-12-24(15-20)19(26)21(9-13-27-14-10-21)16-3-5-17(22)6-4-16/h3-6H,2,7-15H2,1H3
InChIKeyPDJJJSZEEXIDFF-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.34
Rot. Bonds2

About 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72848121) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72848121
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C1=O
InChIInChI=1S/C21H27FN2O3/c1-23-11-2-7-20(18(23)25)8-12-24(15-20)19(26)21(9-13-27-14-10-21)16-3-5-17(22)6-4-16/h3-6H,2,7-15H2,1H3
InChIKeyPDJJJSZEEXIDFF-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(1-phenylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907513
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
(5R)-9-[4-(4-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728573
(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720116
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576
(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 129454830
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 71785139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72848121) is 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)C2)C1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PDJJJSZEEXIDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-23-11-2-7-20(18(23)25)8-12-24(15-20)19(26)21(9-13-27-14-10-21)16-3-5-17(22)6-4-16/h3-6H,2,7-15H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72848121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).