N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide

C17H19F3N2O2 — CID 172888872

IUPACN-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O2/c1-3-15(23)22-8-6-12(7-9-22)16(24)21-14-5-4-11(2)10-13(14)17(18,19)20/h3-5,10,12H,1,6-9H2,2H3,(H,21,24)
InChIKeySTVLHHGFBNPWDT-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.38
Rot. Bonds3

About N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 172888872) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID172888872
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O2/c1-3-15(23)22-8-6-12(7-9-22)16(24)21-14-5-4-11(2)10-13(14)17(18,19)20/h3-5,10,12H,1,6-9H2,2H3,(H,21,24)
InChIKeySTVLHHGFBNPWDT-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166412742
2,2,2-trifluoroethyl 4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 32812975
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-prop-2-enoyl-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-4-carboxamide
CID 166411027
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 26717687
N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 62905996

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 172888872) is N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2ccc(C)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is STVLHHGFBNPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-3-15(23)22-8-6-12(7-9-22)16(24)21-14-5-4-11(2)10-13(14)17(18,19)20/h3-5,10,12H,1,6-9H2,2H3,(H,21,24).
What are the key properties of N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 172888872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).