1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone

C25H31F3N2O — CID 71175664

IUPAC1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1cn(CCCN2C3CCC2CC(CCC2CC2)C3)c2ccccc12)C(F)(F)F
InChIInChI=1S/C25H31F3N2O/c26-25(27,28)24(31)22-16-29(23-5-2-1-4-21(22)23)12-3-13-30-19-10-11-20(30)15-18(14-19)9-8-17-6-7-17/h1-2,4-5,16-20H,3,6-15H2
InChIKeyGLXJKSBPRITFDJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.21
Rot. Bonds8

About 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 71175664) has the molecular formula C25H31F3N2O and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID71175664
Molecular FormulaC25H31F3N2O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1cn(CCCN2C3CCC2CC(CCC2CC2)C3)c2ccccc12)C(F)(F)F
InChIInChI=1S/C25H31F3N2O/c26-25(27,28)24(31)22-16-29(23-5-2-1-4-21(22)23)12-3-13-30-19-10-11-20(30)15-18(14-19)9-8-17-6-7-17/h1-2,4-5,16-20H,3,6-15H2
InChIKeyGLXJKSBPRITFDJ-UHFFFAOYSA-N
XLogP6.21
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-[1-[4-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]butyl]indol-3-yl]ethanone
CID 58968275
N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58968430
N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58968132
2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641729
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641610
5-[4-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]phenyl]pentylphosphonic acid
CID 134823398
4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one
CID 58967948
1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate
CID 157365600
(1R,3S,5R)-2-[2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 123901125
1-[1-[3-[3-(4-chlorocyclohexa-1,3-dien-1-yl)oxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-3-methylbutan-1-one
CID 58968107

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone (CID 71175664) is 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone is O=C(c1cn(CCCN2C3CCC2CC(CCC2CC2)C3)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is GLXJKSBPRITFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O/c26-25(27,28)24(31)22-16-29(23-5-2-1-4-21(22)23)12-3-13-30-19-10-11-20(30)15-18(14-19)9-8-17-6-7-17/h1-2,4-5,16-20H,3,6-15H2.
What are the key properties of 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 432.53 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 71175664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).