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

C18H25FN2O — CID 45242223

IUPAC7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C18H25FN2O/c1-14(2)21-11-9-18(13-21)8-3-10-20(17(18)22)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyYXQCYGRVDRKVKX-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.05
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45242223) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45242223
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C18H25FN2O/c1-14(2)21-11-9-18(13-21)8-3-10-20(17(18)22)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3
InChIKeyYXQCYGRVDRKVKX-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 45242223) is 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YXQCYGRVDRKVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-14(2)21-11-9-18(13-21)8-3-10-20(17(18)22)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45242223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).