(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C19H19F3N4O — CID 51115669

IUPAC(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)15-4-1-3-14(13-15)5-6-17(27)25-16-7-11-26(12-8-16)18-23-9-2-10-24-18/h1-6,9-10,13,16H,7-8,11-12H2,(H,25,27)/b6-5+
InChIKeyXCHIUQDOJGZCRW-AATRIKPKSA-N
MW376.38 g/mol
LogP3.29
Rot. Bonds4

About (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 51115669) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID51115669
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)15-4-1-3-14(13-15)5-6-17(27)25-16-7-11-26(12-8-16)18-23-9-2-10-24-18/h1-6,9-10,13,16H,7-8,11-12H2,(H,25,27)/b6-5+
InChIKeyXCHIUQDOJGZCRW-AATRIKPKSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
(E)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 56569607
N-(1,1-dioxothian-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 71983148
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909
(E)-N-[1-[3,5-bis(trifluoromethyl)phenyl]piperidin-4-yl]-3-(3,5-difluorophenyl)prop-2-enamide
CID 87587208
(E)-3-(3-chloro-4-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708616
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
(E)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55747042
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9204673
4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
CID 75534696
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 51115669) is (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is XCHIUQDOJGZCRW-AATRIKPKSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)15-4-1-3-14(13-15)5-6-17(27)25-16-7-11-26(12-8-16)18-23-9-2-10-24-18/h1-6,9-10,13,16H,7-8,11-12H2,(H,25,27)/b6-5+.
What are the key properties of (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 376.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 51115669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).