1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide

C14H15F3N2O2S — CID 167782942

IUPAC1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)11-7-9(8-22-11)1-2-12(20)19-5-3-10(4-6-19)13(18)21/h1-2,7-8,10H,3-6H2,(H2,18,21)/b2-1+
InChIKeyIFGKIEFJJXTANQ-OWOJBTEDSA-N
MW332.35 g/mol
LogP2.50
Rot. Bonds3

About 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide

1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 167782942) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide
PubChem CID167782942
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)11-7-9(8-22-11)1-2-12(20)19-5-3-10(4-6-19)13(18)21/h1-2,7-8,10H,3-6H2,(H2,18,21)/b2-1+
InChIKeyIFGKIEFJJXTANQ-OWOJBTEDSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide (CID 167782942) is 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is IFGKIEFJJXTANQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c15-14(16,17)11-7-9(8-22-11)1-2-12(20)19-5-3-10(4-6-19)13(18)21/h1-2,7-8,10H,3-6H2,(H2,18,21)/b2-1+.
What are the key properties of 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide?
1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 167782942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).