2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide

C24H45N7O2 — CID 24983080

IUPAC2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide
SMILESNCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCNCC2)nn1
InChIInChI=1S/C24H45N7O2/c25-14-10-7-8-12-22-20-31(29-28-22)21-23(32)27-15-11-6-4-2-1-3-5-9-13-24(33)30-18-16-26-17-19-30/h20,26H,1-19,21,25H2,(H,27,32)
InChIKeyVKGANBCLFBVERR-UHFFFAOYSA-N
MW463.67 g/mol
LogP2.01
Rot. Bonds18

About 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide

2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide (PubChem CID 24983080) has the molecular formula C24H45N7O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide
PubChem CID24983080
Molecular FormulaC24H45N7O2
Molecular Weight463.67 g/mol
Exact Mass463.36
IUPAC Name2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide
SMILESNCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCNCC2)nn1
InChIInChI=1S/C24H45N7O2/c25-14-10-7-8-12-22-20-31(29-28-22)21-23(32)27-15-11-6-4-2-1-3-5-9-13-24(33)30-18-16-26-17-19-30/h20,26H,1-19,21,25H2,(H,27,32)
InChIKeyVKGANBCLFBVERR-UHFFFAOYSA-N
XLogP2.01
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.67
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 16066541
CID 16066541
CID 24978561
CID 24978561
CID 24978574
CID 24978574
CID 24978597
CID 24978597
CID 24983083
CID 24983083
CID 16129555
CID 16129555
CID 16129560
CID 16129560
CID 24983077
CID 24983077
CID 24978576
CID 24978576
CID 24978578
CID 24978578
CID 24983168
CID 24983168
CID 24983195
CID 24983195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide?
The IUPAC name of 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide (CID 24983080) is 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide.
What is the SMILES notation for 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide?
The canonical SMILES for 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide is NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCNCC2)nn1.
What is the InChIKey of 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide?
The InChIKey is VKGANBCLFBVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N7O2/c25-14-10-7-8-12-22-20-31(29-28-22)21-23(32)27-15-11-6-4-2-1-3-5-9-13-24(33)30-18-16-26-17-19-30/h20,26H,1-19,21,25H2,(H,27,32).
What are the key properties of 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide?
2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide has a molecular weight of 463.67 g/mol, XLogP of 2.01, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopentyl)triazol-1-yl]-N-(11-oxo-11-piperazin-1-ylundecyl)acetamide is sourced from PubChem (CID 24983080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).