2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide

C17H35N3O — CID 110441795

IUPAC2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
SMILESCCC(CC)C(=O)NCCCCCN1CCN(CC)CC1
InChIInChI=1S/C17H35N3O/c1-4-16(5-2)17(21)18-10-8-7-9-11-20-14-12-19(6-3)13-15-20/h16H,4-15H2,1-3H3,(H,18,21)
InChIKeyPYHNPACWGZLUDV-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.35
Rot. Bonds10

About 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide

2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide (PubChem CID 110441795) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
PubChem CID110441795
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
SMILESCCC(CC)C(=O)NCCCCCN1CCN(CC)CC1
InChIInChI=1S/C17H35N3O/c1-4-16(5-2)17(21)18-10-8-7-9-11-20-14-12-19(6-3)13-15-20/h16H,4-15H2,1-3H3,(H,18,21)
InChIKeyPYHNPACWGZLUDV-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-hexyl-2-methylguanidine
CID 111160677
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446
2-ethyl-N-(6-oxoheptyl)butanamide
CID 130267698
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide?
The IUPAC name of 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide (CID 110441795) is 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide?
The canonical SMILES for 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide is CCC(CC)C(=O)NCCCCCN1CCN(CC)CC1.
What is the InChIKey of 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide?
The InChIKey is PYHNPACWGZLUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-16(5-2)17(21)18-10-8-7-9-11-20-14-12-19(6-3)13-15-20/h16H,4-15H2,1-3H3,(H,18,21).
What are the key properties of 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide?
2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide has a molecular weight of 297.49 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide is sourced from PubChem (CID 110441795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).