N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride

C12H20ClN3OS — CID 119391130

IUPACN-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccs1
InChIInChI=1S/C12H19N3OS.ClH/c16-12(11-3-1-10-17-11)14-4-2-7-15-8-5-13-6-9-15;/h1,3,10,13H,2,4-9H2,(H,14,16);1H
InChIKeyDYGGGOXQWZUWHB-UHFFFAOYSA-N
MW289.83 g/mol
LogP1.20
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride

N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119391130) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119391130
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC NameN-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccs1
InChIInChI=1S/C12H19N3OS.ClH/c16-12(11-3-1-10-17-11)14-4-2-7-15-8-5-13-6-9-15;/h1,3,10,13H,2,4-9H2,(H,14,16);1H
InChIKeyDYGGGOXQWZUWHB-UHFFFAOYSA-N
XLogP1.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 51.20
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-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119394325
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 119390974

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride (CID 119391130) is N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1cccs1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is DYGGGOXQWZUWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c16-12(11-3-1-10-17-11)14-4-2-7-15-8-5-13-6-9-15;/h1,3,10,13H,2,4-9H2,(H,14,16);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 1.20, 5 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)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119391130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).