(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide

C15H23F3N2O2 — CID 75408169

IUPAC(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-14(2,3)7-4-12(21)19-10-11-5-8-20(9-6-11)13(22)15(16,17)18/h4,7,11H,5-6,8-10H2,1-3H3,(H,19,21)/b7-4+
InChIKeyKQUBDQXZRXMXDS-QPJJXVBHSA-N
MW320.36 g/mol
LogP2.51
Rot. Bonds3

About (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide

(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide (PubChem CID 75408169) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
PubChem CID75408169
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-14(2,3)7-4-12(21)19-10-11-5-8-20(9-6-11)13(22)15(16,17)18/h4,7,11H,5-6,8-10H2,1-3H3,(H,19,21)/b7-4+
InChIKeyKQUBDQXZRXMXDS-QPJJXVBHSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide?
The IUPAC name of (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide (CID 75408169) is (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide.
What is the SMILES notation for (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide?
The canonical SMILES for (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide is CC(C)(C)/C=C/C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide?
The InChIKey is KQUBDQXZRXMXDS-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-14(2,3)7-4-12(21)19-10-11-5-8-20(9-6-11)13(22)15(16,17)18/h4,7,11H,5-6,8-10H2,1-3H3,(H,19,21)/b7-4+.
What are the key properties of (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide?
(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide has a molecular weight of 320.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide is sourced from PubChem (CID 75408169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).