N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide

C26H47N3O — CID 59671904

IUPACN-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CCC(C)CCN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H47N3O/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-28-18-20-29(21-19-28)26(30)27-25-14-6-5-7-15-25/h10,12,24-25H,5-9,11,13-21H2,1-4H3,(H,27,30)/b23-12+
InChIKeySWAHBMHWPXIBGG-FSJBWODESA-N
MW417.68 g/mol
LogP6.15
Rot. Bonds10

About N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide

N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide (PubChem CID 59671904) has the molecular formula C26H47N3O and a molecular weight of 417.68 g/mol. Its IUPAC name is N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide
PubChem CID59671904
Molecular FormulaC26H47N3O
Molecular Weight417.68 g/mol
Exact Mass417.37
IUPAC NameN-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CCC(C)CCN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H47N3O/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-28-18-20-29(21-19-28)26(30)27-25-14-6-5-7-15-25/h10,12,24-25H,5-9,11,13-21H2,1-4H3,(H,27,30)/b23-12+
InChIKeySWAHBMHWPXIBGG-FSJBWODESA-N
XLogP6.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide (CID 59671904) is N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide is CC(C)=CCC/C(C)=C/CCC(C)CCN1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide?
The InChIKey is SWAHBMHWPXIBGG-FSJBWODESA-N. The full InChI is InChI=1S/C26H47N3O/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-28-18-20-29(21-19-28)26(30)27-25-14-6-5-7-15-25/h10,12,24-25H,5-9,11,13-21H2,1-4H3,(H,27,30)/b23-12+.
What are the key properties of N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide has a molecular weight of 417.68 g/mol, XLogP of 6.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazine-1-carboxamide is sourced from PubChem (CID 59671904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).