N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C25H28F3N3 — CID 153042653

IUPACN-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESC=C(c1cc2ccccc2[nH]1)N(CC(F)(F)F)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H28F3N3/c1-19(24-16-21-10-5-6-12-23(21)29-24)31(18-25(26,27)28)22-11-7-14-30(17-22)15-13-20-8-3-2-4-9-20/h2-6,8-10,12,16,22,29H,1,7,11,13-15,17-18H2
InChIKeyVFZLQUBFBHFAAR-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.71
Rot. Bonds7

About N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine

N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 153042653) has the molecular formula C25H28F3N3 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID153042653
Molecular FormulaC25H28F3N3
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC NameN-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESC=C(c1cc2ccccc2[nH]1)N(CC(F)(F)F)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H28F3N3/c1-19(24-16-21-10-5-6-12-23(21)29-24)31(18-25(26,27)28)22-11-7-14-30(17-22)15-13-20-8-3-2-4-9-20/h2-6,8-10,12,16,22,29H,1,7,11,13-15,17-18H2
InChIKeyVFZLQUBFBHFAAR-UHFFFAOYSA-N
XLogP5.71
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 140931219
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931178
N-[(3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076723
N-[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076718
N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 129043902
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
tert-butyl 3-[[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]methyl]piperidine-1-carboxylate
CID 142459395
2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
CID 45174860

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 153042653) is N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is C=C(c1cc2ccccc2[nH]1)N(CC(F)(F)F)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is VFZLQUBFBHFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3/c1-19(24-16-21-10-5-6-12-23(21)29-24)31(18-25(26,27)28)22-11-7-14-30(17-22)15-13-20-8-3-2-4-9-20/h2-6,8-10,12,16,22,29H,1,7,11,13-15,17-18H2.
What are the key properties of N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 427.51 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-2-yl)ethenyl]-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 153042653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).