1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine

C26H45N3 — CID 89313201

IUPAC1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine
SMILESC=C(/C=C\C=C1CCCC1)N1CCN(CCC2CCN(CCCCC)CC2)CC1
InChIInChI=1S/C26H45N3/c1-3-4-7-16-27-17-13-26(14-18-27)15-19-28-20-22-29(23-21-28)24(2)9-8-12-25-10-5-6-11-25/h8-9,12,26H,2-7,10-11,13-23H2,1H3/b9-8-
InChIKeyUOJMNXTYKYBMBR-HJWRWDBZSA-N
MW399.67 g/mol
LogP5.47
Rot. Bonds10

About 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine

1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine (PubChem CID 89313201) has the molecular formula C26H45N3 and a molecular weight of 399.67 g/mol. Its IUPAC name is 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine
PubChem CID89313201
Molecular FormulaC26H45N3
Molecular Weight399.67 g/mol
Exact Mass399.36
IUPAC Name1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine
SMILESC=C(/C=C\C=C1CCCC1)N1CCN(CCC2CCN(CCCCC)CC2)CC1
InChIInChI=1S/C26H45N3/c1-3-4-7-16-27-17-13-26(14-18-27)15-19-28-20-22-29(23-21-28)24(2)9-8-12-25-10-5-6-11-25/h8-9,12,26H,2-7,10-11,13-23H2,1H3/b9-8-
InChIKeyUOJMNXTYKYBMBR-HJWRWDBZSA-N
XLogP5.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.67
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine (CID 89313201) is 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine is C=C(/C=C\C=C1CCCC1)N1CCN(CCC2CCN(CCCCC)CC2)CC1.
What is the InChIKey of 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is UOJMNXTYKYBMBR-HJWRWDBZSA-N. The full InChI is InChI=1S/C26H45N3/c1-3-4-7-16-27-17-13-26(14-18-27)15-19-28-20-22-29(23-21-28)24(2)9-8-12-25-10-5-6-11-25/h8-9,12,26H,2-7,10-11,13-23H2,1H3/b9-8-.
What are the key properties of 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine?
1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 399.67 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-cyclopentylidenepenta-1,3-dien-2-yl]-4-[2-(1-pentylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 89313201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).