(1-octadecylpiperazin-2-ylidene)methanone

C23H44N2O — CID 175240829

IUPAC(1-octadecylpiperazin-2-ylidene)methanone
SMILESCCCCCCCCCCCCCCCCCCN1CCNCC1=C=O
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-20-18-24-21-23(25)22-26/h24H,2-21H2,1H3
InChIKeyDOTTXHKJMYKXRX-UHFFFAOYSA-N
MW364.62 g/mol
LogP5.87
Rot. Bonds17

About (1-octadecylpiperazin-2-ylidene)methanone

(1-octadecylpiperazin-2-ylidene)methanone (PubChem CID 175240829) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is (1-octadecylpiperazin-2-ylidene)methanone.

Molecular Properties

Compound Name(1-octadecylpiperazin-2-ylidene)methanone
PubChem CID175240829
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name(1-octadecylpiperazin-2-ylidene)methanone
SMILESCCCCCCCCCCCCCCCCCCN1CCNCC1=C=O
InChIInChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-20-18-24-21-23(25)22-26/h24H,2-21H2,1H3
InChIKeyDOTTXHKJMYKXRX-UHFFFAOYSA-N
XLogP5.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-octadecylpiperazin-2-ylidene)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-octadecylpiperazin-2-ylidene)methanone?
The IUPAC name of (1-octadecylpiperazin-2-ylidene)methanone (CID 175240829) is (1-octadecylpiperazin-2-ylidene)methanone.
What is the SMILES notation for (1-octadecylpiperazin-2-ylidene)methanone?
The canonical SMILES for (1-octadecylpiperazin-2-ylidene)methanone is CCCCCCCCCCCCCCCCCCN1CCNCC1=C=O.
What is the InChIKey of (1-octadecylpiperazin-2-ylidene)methanone?
The InChIKey is DOTTXHKJMYKXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-20-18-24-21-23(25)22-26/h24H,2-21H2,1H3.
What are the key properties of (1-octadecylpiperazin-2-ylidene)methanone?
(1-octadecylpiperazin-2-ylidene)methanone has a molecular weight of 364.62 g/mol, XLogP of 5.87, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octadecylpiperazin-2-ylidene)methanone is sourced from PubChem (CID 175240829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).