4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide

C17H29N3OS — CID 119394631

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
SMILESCc1cc(CCCC(=O)NCCCN2CCNCC2)c(C)s1
InChIInChI=1S/C17H29N3OS/c1-14-13-16(15(2)22-14)5-3-6-17(21)19-7-4-10-20-11-8-18-9-12-20/h13,18H,3-12H2,1-2H3,(H,19,21)
InChIKeyCHTPVFPOHUYDPJ-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.10
Rot. Bonds8

About 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide

4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide (PubChem CID 119394631) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
PubChem CID119394631
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
SMILESCc1cc(CCCC(=O)NCCCN2CCNCC2)c(C)s1
InChIInChI=1S/C17H29N3OS/c1-14-13-16(15(2)22-14)5-3-6-17(21)19-7-4-10-20-11-8-18-9-12-20/h13,18H,3-12H2,1-2H3,(H,19,21)
InChIKeyCHTPVFPOHUYDPJ-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)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

3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide (CID 119394631) is 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide is Cc1cc(CCCC(=O)NCCCN2CCNCC2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
The InChIKey is CHTPVFPOHUYDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-14-13-16(15(2)22-14)5-3-6-17(21)19-7-4-10-20-11-8-18-9-12-20/h13,18H,3-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide has a molecular weight of 323.51 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide is sourced from PubChem (CID 119394631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).