N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride

C13H22ClN3OS — CID 119393187

IUPACN-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccs1)NCCCN1CCNCC1
InChIInChI=1S/C13H21N3OS.ClH/c17-13(11-12-3-1-10-18-12)15-4-2-7-16-8-5-14-6-9-16;/h1,3,10,14H,2,4-9,11H2,(H,15,17);1H
InChIKeyYBTXOEREDFRPSI-UHFFFAOYSA-N
MW303.86 g/mol
LogP1.12
Rot. Bonds6

About N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 119393187) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID119393187
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccs1)NCCCN1CCNCC1
InChIInChI=1S/C13H21N3OS.ClH/c17-13(11-12-3-1-10-18-12)15-4-2-7-16-8-5-14-6-9-16;/h1,3,10,14H,2,4-9,11H2,(H,15,17);1H
InChIKeyYBTXOEREDFRPSI-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119394325
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride (CID 119393187) is N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride is Cl.O=C(Cc1cccs1)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is YBTXOEREDFRPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.ClH/c17-13(11-12-3-1-10-18-12)15-4-2-7-16-8-5-14-6-9-16;/h1,3,10,14H,2,4-9,11H2,(H,15,17);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 303.86 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119393187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).