2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide

C14H27N3O — CID 18464104

IUPAC2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCN1CCNCC1
InChIInChI=1S/C14H27N3O/c1-13(2)14(18)16-7-5-3-4-6-10-17-11-8-15-9-12-17/h15H,1,3-12H2,2H3,(H,16,18)
InChIKeyQGEXGQHHCQLTSH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.14
Rot. Bonds8

About 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide

2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide (PubChem CID 18464104) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide
PubChem CID18464104
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCN1CCNCC1
InChIInChI=1S/C14H27N3O/c1-13(2)14(18)16-7-5-3-4-6-10-17-11-8-15-9-12-17/h15H,1,3-12H2,2H3,(H,16,18)
InChIKeyQGEXGQHHCQLTSH-UHFFFAOYSA-N
XLogP1.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide 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 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide (CID 18464104) is 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide is C=C(C)C(=O)NCCCCCCN1CCNCC1.
What is the InChIKey of 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide?
The InChIKey is QGEXGQHHCQLTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2)14(18)16-7-5-3-4-6-10-17-11-8-15-9-12-17/h15H,1,3-12H2,2H3,(H,16,18).
What are the key properties of 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide?
2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-piperazin-1-ylhexyl)prop-2-enamide is sourced from PubChem (CID 18464104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).