(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide

C16H14F6N4O — CID 97260801

IUPAC(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1
InChIInChI=1S/C16H14F6N4O/c17-11-6-9(7-12(18)14(11)19)24-15(27)25-5-1-2-10(8-25)26-13(3-4-23-26)16(20,21)22/h3-4,6-7,10H,1-2,5,8H2,(H,24,27)/t10-/m1/s1
InChIKeyBZOWFNNFCFRABO-SNVBAGLBSA-N
MW392.30 g/mol
LogP4.19
Rot. Bonds2

About (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide

(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 97260801) has the molecular formula C16H14F6N4O and a molecular weight of 392.30 g/mol. Its IUPAC name is (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
PubChem CID97260801
Molecular FormulaC16H14F6N4O
Molecular Weight392.30 g/mol
Exact Mass392.11
IUPAC Name(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1
InChIInChI=1S/C16H14F6N4O/c17-11-6-9(7-12(18)14(11)19)24-15(27)25-5-1-2-10(8-25)26-13(3-4-23-26)16(20,21)22/h3-4,6-7,10H,1-2,5,8H2,(H,24,27)/t10-/m1/s1
InChIKeyBZOWFNNFCFRABO-SNVBAGLBSA-N
XLogP4.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-5-(trifluoromethyl)pyrazole
CID 161495337
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4258615
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518441

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide (CID 97260801) is (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1.
What is the InChIKey of (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is BZOWFNNFCFRABO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F6N4O/c17-11-6-9(7-12(18)14(11)19)24-15(27)25-5-1-2-10(8-25)26-13(3-4-23-26)16(20,21)22/h3-4,6-7,10H,1-2,5,8H2,(H,24,27)/t10-/m1/s1.
What are the key properties of (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide?
(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97260801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).