3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide

C13H21N3OS — CID 115189180

IUPAC3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide
SMILESCC(C)(CC(=O)Nc1cccs1)N1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-13(2,16-7-5-14-6-8-16)10-11(17)15-12-4-3-9-18-12/h3-4,9,14H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyKJSIGXQPTKHAQO-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.76
Rot. Bonds4

About 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide

3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide (PubChem CID 115189180) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide
PubChem CID115189180
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide
SMILESCC(C)(CC(=O)Nc1cccs1)N1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-13(2,16-7-5-14-6-8-16)10-11(17)15-12-4-3-9-18-12/h3-4,9,14H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyKJSIGXQPTKHAQO-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide 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-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189200
N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
CID 115189208
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide
CID 80547520
4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
CID 115156865
N-(4-piperazin-1-ylbutyl)thiophen-2-amine
CID 115240320
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 80551288
1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924102
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide?
The IUPAC name of 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide (CID 115189180) is 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide.
What is the SMILES notation for 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide?
The canonical SMILES for 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide is CC(C)(CC(=O)Nc1cccs1)N1CCNCC1.
What is the InChIKey of 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide?
The InChIKey is KJSIGXQPTKHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,16-7-5-14-6-8-16)10-11(17)15-12-4-3-9-18-12/h3-4,9,14H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide?
3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide has a molecular weight of 267.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperazin-1-yl-N-thiophen-2-ylbutanamide is sourced from PubChem (CID 115189180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).