N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C21H20F3N3O — CID 11516588

IUPACN-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)16-2-1-3-18(13-16)27-10-7-14(8-11-27)20(28)26-17-4-5-19-15(12-17)6-9-25-19/h1-6,9,12-14,25H,7-8,10-11H2,(H,26,28)
InChIKeyYMDGZSVKDWRSPO-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.04
Rot. Bonds3

About N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 11516588) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID11516588
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)16-2-1-3-18(13-16)27-10-7-14(8-11-27)20(28)26-17-4-5-19-15(12-17)6-9-25-19/h1-6,9,12-14,25H,7-8,10-11H2,(H,26,28)
InChIKeyYMDGZSVKDWRSPO-UHFFFAOYSA-N
XLogP5.04
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 11516588) is N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YMDGZSVKDWRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)16-2-1-3-18(13-16)27-10-7-14(8-11-27)20(28)26-17-4-5-19-15(12-17)6-9-25-19/h1-6,9,12-14,25H,7-8,10-11H2,(H,26,28).
What are the key properties of N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(1H-indol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 5.04, 3 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-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11516588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).