[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

C27H34FN3O — CID 176970605

IUPAC[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCn1cc(CN2CCC3(CC2)CN(CCc2ccccc2)CC3CO)c2cc(F)ccc21
InChIInChI=1S/C27H34FN3O/c1-29-16-22(25-15-24(28)7-8-26(25)29)17-30-13-10-27(11-14-30)20-31(18-23(27)19-32)12-9-21-5-3-2-4-6-21/h2-8,15-16,23,32H,9-14,17-20H2,1H3
InChIKeyDLGNJDLDBVOWDS-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.07
Rot. Bonds6

About [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 176970605) has the molecular formula C27H34FN3O and a molecular weight of 435.59 g/mol. Its IUPAC name is [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID176970605
Molecular FormulaC27H34FN3O
Molecular Weight435.59 g/mol
Exact Mass435.27
IUPAC Name[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCn1cc(CN2CCC3(CC2)CN(CCc2ccccc2)CC3CO)c2cc(F)ccc21
InChIInChI=1S/C27H34FN3O/c1-29-16-22(25-15-24(28)7-8-26(25)29)17-30-13-10-27(11-14-30)20-31(18-23(27)19-32)12-9-21-5-3-2-4-6-21/h2-8,15-16,23,32H,9-14,17-20H2,1H3
InChIKeyDLGNJDLDBVOWDS-UHFFFAOYSA-N
XLogP4.07
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 176970605) is [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cn1cc(CN2CCC3(CC2)CN(CCc2ccccc2)CC3CO)c2cc(F)ccc21.
What is the InChIKey of [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is DLGNJDLDBVOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O/c1-29-16-22(25-15-24(28)7-8-26(25)29)17-30-13-10-27(11-14-30)20-31(18-23(27)19-32)12-9-21-5-3-2-4-6-21/h2-8,15-16,23,32H,9-14,17-20H2,1H3.
What are the key properties of [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 435.59 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(5-fluoro-1-methylindol-3-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 176970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).