2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide

C14H22N2O — CID 142018553

IUPAC2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide
SMILESC=C/C=C(\C=C)CN1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H22N2O/c1-3-5-12(4-2)11-16-8-6-13(7-9-16)10-14(15)17/h3-5,13H,1-2,6-11H2,(H2,15,17)/b12-5+
InChIKeyQEEFBLOUHRXBOS-LFYBBSHMSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds6

About 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide

2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide (PubChem CID 142018553) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide
PubChem CID142018553
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide
SMILESC=C/C=C(\C=C)CN1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H22N2O/c1-3-5-12(4-2)11-16-8-6-13(7-9-16)10-14(15)17/h3-5,13H,1-2,6-11H2,(H2,15,17)/b12-5+
InChIKeyQEEFBLOUHRXBOS-LFYBBSHMSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
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 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide (CID 142018553) is 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide is C=C/C=C(\C=C)CN1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide?
The InChIKey is QEEFBLOUHRXBOS-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-12(4-2)11-16-8-6-13(7-9-16)10-14(15)17/h3-5,13H,1-2,6-11H2,(H2,15,17)/b12-5+.
What are the key properties of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide?
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 142018553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).