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

C25H29F3N2O — CID 11350912

IUPAC8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)cc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)22-10-8-21(9-11-22)19-30-18-14-24(23(30)31)12-16-29(17-13-24)15-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-19H2
InChIKeyNVRQDNXQOZBXGO-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.15
Rot. Bonds6

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

8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11350912) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11350912
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)cc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)22-10-8-21(9-11-22)19-30-18-14-24(23(30)31)12-16-29(17-13-24)15-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-19H2
InChIKeyNVRQDNXQOZBXGO-UHFFFAOYSA-N
XLogP5.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 11350912) is 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccc(C(F)(F)F)cc2)CCC12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NVRQDNXQOZBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c26-25(27,28)22-10-8-21(9-11-22)19-30-18-14-24(23(30)31)12-16-29(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 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 430.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11350912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).