N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

C15H17F3N2O — CID 146131067

IUPACN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C15H17F3N2O/c1-2-14(21)19-12-10-11(15(16,17)18)6-7-13(12)20-8-4-3-5-9-20/h2,6-7,10H,1,3-5,8-9H2,(H,19,21)
InChIKeyFUNDDEOAWQDVBN-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.82
Rot. Bonds3

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 146131067) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID146131067
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C15H17F3N2O/c1-2-14(21)19-12-10-11(15(16,17)18)6-7-13(12)20-8-4-3-5-9-20/h2,6-7,10H,1,3-5,8-9H2,(H,19,21)
InChIKeyFUNDDEOAWQDVBN-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.82
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

2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 42896639
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
(E)-3-(2,5-dimethoxyphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 2444640
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
(1S)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 8849710
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240

Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 146131067) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FUNDDEOAWQDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-2-14(21)19-12-10-11(15(16,17)18)6-7-13(12)20-8-4-3-5-9-20/h2,6-7,10H,1,3-5,8-9H2,(H,19,21).
What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 298.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 146131067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).