3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one

C25H25FN2O3 — CID 45244226

IUPAC3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCC2(CCCN(Cc3ccccc3F)C2)C1
InChIInChI=1S/C25H25FN2O3/c26-21-8-3-1-7-19(21)15-27-12-5-10-25(16-27)11-13-28(17-25)23(29)20-14-18-6-2-4-9-22(18)31-24(20)30/h1-4,6-9,14H,5,10-13,15-17H2
InChIKeyYUUDKYJNOCABQY-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.06
Rot. Bonds3

About 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one

3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one (PubChem CID 45244226) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one
PubChem CID45244226
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCC2(CCCN(Cc3ccccc3F)C2)C1
InChIInChI=1S/C25H25FN2O3/c26-21-8-3-1-7-19(21)15-27-12-5-10-25(16-27)11-13-28(17-25)23(29)20-14-18-6-2-4-9-22(18)31-24(20)30/h1-4,6-9,14H,5,10-13,15-17H2
InChIKeyYUUDKYJNOCABQY-UHFFFAOYSA-N
XLogP4.06
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25450891
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
3-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 171385899
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
3-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 86903574
5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
CID 25446669
1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618507
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
1-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3,3,3-trifluoropropan-1-one
CID 25386653

Frequently Asked Questions

What is the IUPAC name of 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one?
The IUPAC name of 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one (CID 45244226) is 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one?
The canonical SMILES for 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCC2(CCCN(Cc3ccccc3F)C2)C1.
What is the InChIKey of 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one?
The InChIKey is YUUDKYJNOCABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-21-8-3-1-7-19(21)15-27-12-5-10-25(16-27)11-13-28(17-25)23(29)20-14-18-6-2-4-9-22(18)31-24(20)30/h1-4,6-9,14H,5,10-13,15-17H2.
What are the key properties of 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one?
3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one has a molecular weight of 420.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one is sourced from PubChem (CID 45244226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).