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'}

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

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Related Compounds

1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethyl-4-[(2E,4Z,6E)-6-(4-methylpiperazin-1-yl)octa-2,4,6-trien-3-yl]pyrrolidin-3-amine
CID 166885654
1-Butyl-4-[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexa-1,3-dien-1-yl]piperazine
CID 173204463
1-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 177974533
1-[1-[(3Z,5E)-5,7-difluoro-2-methylocta-3,5,7-trienyl]piperidin-4-yl]-4-[(3Z,5E)-3-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]piperazine
CID 143279917
4-ethenyl-4-fluoro-1-[[1-[(2E,4Z)-5-methyl-3-(2-methylpropyl)hepta-2,4,6-trien-2-yl]piperidin-4-yl]methyl]piperidine
CID 156796983
1-[[5-Methyl-4-(piperidin-1-ylmethyl)cyclopenta-1,3-dien-1-yl]methyl]piperidine
CID 69132456
1-(4,5-Dimethylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 71119906
1-methyl-6-(piperidin-1-ylmethyl)-2-propan-2-yl-2H-pyridine
CID 121480627
1-[1-[1-[2-Methylidene-1-(2-methylprop-1-enyl)-4-pyridinyl]piperidin-4-yl]buta-2,3-dien-2-yl]-4-propan-2-ylpiperazine
CID 126516163
N-[[1-[(3E,5E)-5-methylocta-3,5,7-trien-4-yl]piperidin-3-yl]methyl]-N-pent-1-en-2-ylcyclopentanamine
CID 132159841
1-[4-[(4E)-4-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohexa-1,5-dien-1-yl]but-1-en-2-yl]-4-methylpiperazine
CID 137382270
N-but-1-en-2-yl-N-[[4-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-1-methylpiperidin-4-yl]methyl]cyclohexa-1,5-dien-1-amine
CID 139471535

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).