4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide

C25H41N3O — CID 122490706

IUPAC4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCN1CCN(C(N)=O)CC1
InChIInChI=1S/C25H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23-28(24-22-27)25(26)29/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-24H2,1H3,(H2,26,29)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyNRPPJDDKHAGQKS-JLNKQSITSA-N
MW399.62 g/mol
LogP5.60
Rot. Bonds14

About 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide

4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide (PubChem CID 122490706) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide
PubChem CID122490706
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Name4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCN1CCN(C(N)=O)CC1
InChIInChI=1S/C25H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23-28(24-22-27)25(26)29/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-24H2,1H3,(H2,26,29)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyNRPPJDDKHAGQKS-JLNKQSITSA-N
XLogP5.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-nonylpiperazine-1-carboxamide
CID 13213299
4-propylpiperazine-1-carboxamide
CID 16792615
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
icosa-5,8,11,14,17-pentaenamide
CID 160981167
N-[3-[4-[3-[5-[(3R)-dithiolan-3-yl]pentanoylamino]propyl]piperazin-1-yl]propyl]octadeca-9,12,15-trienamide
CID 91566970
(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
CID 89050149
bis(docosa-7,10,13,16,19-pentaenyl) carbonate
CID 173337934
(5Z,8Z,11Z,14Z,17Z)-1-morpholin-4-ylicosa-5,8,11,14,17-pentaen-1-one
CID 138969257
octadec-15-enamide
CID 54276805
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
2-[(Z)-6-(4-methylpiperazin-1-yl)hex-2-enyl]thiophene-3-carboxamide
CID 142795808
henicosa-15,18-dienoic acid
CID 169277369

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide (CID 122490706) is 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCN1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide?
The InChIKey is NRPPJDDKHAGQKS-JLNKQSITSA-N. The full InChI is InChI=1S/C25H41N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21-23-28(24-22-27)25(26)29/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-24H2,1H3,(H2,26,29)/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide?
4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide has a molecular weight of 399.62 g/mol, XLogP of 5.60, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenyl]piperazine-1-carboxamide is sourced from PubChem (CID 122490706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).