N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

C19H30N2O2 — CID 143364802

IUPACN-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESC=C(/C=C\C)OC(=C)/C=C(\C)N(CCN1CCCCC1)C(C)=O
InChIInChI=1S/C19H30N2O2/c1-6-10-17(3)23-18(4)15-16(2)21(19(5)22)14-13-20-11-8-7-9-12-20/h6,10,15H,3-4,7-9,11-14H2,1-2,5H3/b10-6-,16-15+
InChIKeyMPXFHHHWRSJSBP-WXNHPGFZSA-N
MW318.46 g/mol
LogP3.84
Rot. Bonds8

About N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 143364802) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID143364802
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESC=C(/C=C\C)OC(=C)/C=C(\C)N(CCN1CCCCC1)C(C)=O
InChIInChI=1S/C19H30N2O2/c1-6-10-17(3)23-18(4)15-16(2)21(19(5)22)14-13-20-11-8-7-9-12-20/h6,10,15H,3-4,7-9,11-14H2,1-2,5H3/b10-6-,16-15+
InChIKeyMPXFHHHWRSJSBP-WXNHPGFZSA-N
XLogP3.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123284533
1-[4-(4-Methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone
CID 123409071
ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 143364801

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 143364802) is N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide is C=C(/C=C\C)OC(=C)/C=C(\C)N(CCN1CCCCC1)C(C)=O.
What is the InChIKey of N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is MPXFHHHWRSJSBP-WXNHPGFZSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-10-17(3)23-18(4)15-16(2)21(19(5)22)14-13-20-11-8-7-9-12-20/h6,10,15H,3-4,7-9,11-14H2,1-2,5H3/b10-6-,16-15+.
What are the key properties of N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 143364802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).