(4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide

C20H29F3N2O2 — CID 176947516

IUPAC(4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide
SMILESC=C(/C=C(C(\C)=C/C)/C(CC(=O)NC)CC(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H29F3N2O2/c1-5-14(2)17(11-15(3)20(21,22)23)16(12-18(26)24-4)13-19(27)25-9-7-6-8-10-25/h5,11,16H,3,6-10,12-13H2,1-2,4H3,(H,24,26)/b14-5-,17-11+
InChIKeyCGDOQFQLWVCWMX-OIGZCBAWSA-N
MW386.46 g/mol
LogP4.15
Rot. Bonds7

About (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide

(4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide (PubChem CID 176947516) has the molecular formula C20H29F3N2O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide
PubChem CID176947516
Molecular FormulaC20H29F3N2O2
Molecular Weight386.46 g/mol
Exact Mass386.22
IUPAC Name(4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide
SMILESC=C(/C=C(C(\C)=C/C)/C(CC(=O)NC)CC(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H29F3N2O2/c1-5-14(2)17(11-15(3)20(21,22)23)16(12-18(26)24-4)13-19(27)25-9-7-6-8-10-25/h5,11,16H,3,6-10,12-13H2,1-2,4H3,(H,24,26)/b14-5-,17-11+
InChIKeyCGDOQFQLWVCWMX-OIGZCBAWSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide?
The IUPAC name of (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide (CID 176947516) is (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide?
The canonical SMILES for (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide is C=C(/C=C(C(\C)=C/C)/C(CC(=O)NC)CC(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide?
The InChIKey is CGDOQFQLWVCWMX-OIGZCBAWSA-N. The full InChI is InChI=1S/C20H29F3N2O2/c1-5-14(2)17(11-15(3)20(21,22)23)16(12-18(26)24-4)13-19(27)25-9-7-6-8-10-25/h5,11,16H,3,6-10,12-13H2,1-2,4H3,(H,24,26)/b14-5-,17-11+.
What are the key properties of (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide?
(4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide has a molecular weight of 386.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-but-2-en-2-yl]-N-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)hepta-4,6-dienamide is sourced from PubChem (CID 176947516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).