4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide

C16H18F3N3O2 — CID 75534696

IUPAC4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)12-4-1-11(2-5-12)3-6-14(23)21-13-7-9-22(10-8-13)15(20)24/h1-6,13H,7-10H2,(H2,20,24)(H,21,23)/b6-3+
InChIKeyGWGQZKVZDYWGJK-ZZXKWVIFSA-N
MW341.33 g/mol
LogP2.38
Rot. Bonds3

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

4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide (PubChem CID 75534696) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
PubChem CID75534696
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)12-4-1-11(2-5-12)3-6-14(23)21-13-7-9-22(10-8-13)15(20)24/h1-6,13H,7-10H2,(H2,20,24)(H,21,23)/b6-3+
InChIKeyGWGQZKVZDYWGJK-ZZXKWVIFSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 46540248
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,4-diazepane-1-carboxamide
CID 72687307
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 103597803
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
(E)-N-[1-[3,5-bis(trifluoromethyl)phenyl]piperidin-4-yl]-3-(3,5-difluorophenyl)prop-2-enamide
CID 87587208
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 63037864

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide (CID 75534696) is 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide is NC(=O)N1CCC(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide?
The InChIKey is GWGQZKVZDYWGJK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)12-4-1-11(2-5-12)3-6-14(23)21-13-7-9-22(10-8-13)15(20)24/h1-6,13H,7-10H2,(H2,20,24)(H,21,23)/b6-3+.
What are the key properties of 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide?
4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 75534696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).