1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide

C19H19F3N2O2 — CID 166411027

IUPAC1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N2O2/c1-2-17(25)24-12-9-15(10-13-24)18(26)23-11-3-4-14-5-7-16(8-6-14)19(20,21)22/h2,5-8,15H,1,9-13H2,(H,23,26)
InChIKeyFODIUOFLOMLVHS-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.60
Rot. Bonds3

About 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide

1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide (PubChem CID 166411027) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide
PubChem CID166411027
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N2O2/c1-2-17(25)24-12-9-15(10-13-24)18(26)23-11-3-4-14-5-7-16(8-6-14)19(20,21)22/h2,5-8,15H,1,9-13H2,(H,23,26)
InChIKeyFODIUOFLOMLVHS-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylprop-2-ynyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55510350
1-[3-[2-[4-(trifluoromethyl)phenyl]ethynyl]piperidin-1-yl]prop-2-en-1-one
CID 171093096
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 172888872
1-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-1-yl]prop-2-en-1-one
CID 171093201
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 17459265
2-(cyclobutylmethyl)-1-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]guanidine
CID 111823185
4-N-phenyl-1-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-1,4-dicarboxamide
CID 112818112
N-[(2,3,4,5,6-pentafluorophenyl)methyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405641
1-pyrrolidin-1-ylprop-2-en-1-one;[4-(trifluoromethyl)phenyl]methanamine
CID 155732722
1-[(3R)-3-[2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171093114

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide?
The IUPAC name of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide (CID 166411027) is 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide?
The canonical SMILES for 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide?
The InChIKey is FODIUOFLOMLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-2-17(25)24-12-9-15(10-13-24)18(26)23-11-3-4-14-5-7-16(8-6-14)19(20,21)22/h2,5-8,15H,1,9-13H2,(H,23,26).
What are the key properties of 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide?
1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide is sourced from PubChem (CID 166411027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).