N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H18F3N3O — CID 141101811

IUPACN-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2ccccc2[nH]1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)10-22-7-5-11(6-8-22)15(23)21-14-9-12-3-1-2-4-13(12)20-14/h1-4,9,11,20H,5-8,10H2,(H,21,23)
InChIKeyYFTDEBMBMNQQMI-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.38
Rot. Bonds3

About N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 141101811) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID141101811
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2ccccc2[nH]1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)10-22-7-5-11(6-8-22)15(23)21-14-9-12-3-1-2-4-13(12)20-14/h1-4,9,11,20H,5-8,10H2,(H,21,23)
InChIKeyYFTDEBMBMNQQMI-UHFFFAOYSA-N
XLogP3.38
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 141101811) is N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(Nc1cc2ccccc2[nH]1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is YFTDEBMBMNQQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)10-22-7-5-11(6-8-22)15(23)21-14-9-12-3-1-2-4-13(12)20-14/h1-4,9,11,20H,5-8,10H2,(H,21,23).
What are the key properties of N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 141101811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).