N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C16H16F3N3O2 — CID 110730749

IUPACN-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15(24)22-7-4-10(5-8-22)14(23)21-12-1-2-13-11(9-12)3-6-20-13/h1-3,6,9-10,20H,4-5,7-8H2,(H,21,23)
InChIKeyCYDRTNAKGGXKEQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.91
Rot. Bonds2

About N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110730749) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110730749
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)15(24)22-7-4-10(5-8-22)14(23)21-12-1-2-13-11(9-12)3-6-20-13/h1-3,6,9-10,20H,4-5,7-8H2,(H,21,23)
InChIKeyCYDRTNAKGGXKEQ-UHFFFAOYSA-N
XLogP2.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110731200
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344159
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95625398
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110730749) is N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is CYDRTNAKGGXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)15(24)22-7-4-10(5-8-22)14(23)21-12-1-2-13-11(9-12)3-6-20-13/h1-3,6,9-10,20H,4-5,7-8H2,(H,21,23).
What are the key properties of N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110730749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).