3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C16H24N2O — CID 134312239

IUPAC3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=CC(C=C)=C(/C=C\C)C(=O)N(C)C1CCCNC1
InChIInChI=1S/C16H24N2O/c1-5-9-15(13(6-2)7-3)16(19)18(4)14-10-8-11-17-12-14/h5-7,9,14,17H,2-3,8,10-12H2,1,4H3/b9-5-
InChIKeyPJUGICSVFZOBFJ-UITAMQMPSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds5

About 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 134312239) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID134312239
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=CC(C=C)=C(/C=C\C)C(=O)N(C)C1CCCNC1
InChIInChI=1S/C16H24N2O/c1-5-9-15(13(6-2)7-3)16(19)18(4)14-10-8-11-17-12-14/h5-7,9,14,17H,2-3,8,10-12H2,1,4H3/b9-5-
InChIKeyPJUGICSVFZOBFJ-UITAMQMPSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 134312239) is 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=CC(C=C)=C(/C=C\C)C(=O)N(C)C1CCCNC1.
What is the InChIKey of 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is PJUGICSVFZOBFJ-UITAMQMPSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-9-15(13(6-2)7-3)16(19)18(4)14-10-8-11-17-12-14/h5-7,9,14,17H,2-3,8,10-12H2,1,4H3/b9-5-.
What are the key properties of 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 260.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methyl-N-piperidin-3-yl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 134312239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).