2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one

C24H29FN2O — CID 11463138

IUPAC2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(F)cc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C24H29FN2O/c25-22-10-8-21(9-11-22)19-27-18-14-24(23(27)28)12-16-26(17-13-24)15-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-19H2
InChIKeyCAWWFZZTXSFGAU-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.27
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one

2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11463138) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11463138
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(F)cc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C24H29FN2O/c25-22-10-8-21(9-11-22)19-27-18-14-24(23(27)28)12-16-26(17-13-24)15-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-19H2
InChIKeyCAWWFZZTXSFGAU-UHFFFAOYSA-N
XLogP4.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11463138) is 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccc(F)cc2)CCC12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is CAWWFZZTXSFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c25-22-10-8-21(9-11-22)19-27-18-14-24(23(27)28)12-16-26(17-13-24)15-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-19H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 380.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-8-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11463138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).