N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride

C15H25ClN4O2S — CID 119393805

IUPACN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1cccs1)NCCCN1CCNCC1
InChIInChI=1S/C15H24N4O2S.ClH/c20-14(4-6-18-15(21)13-3-1-12-22-13)17-5-2-9-19-10-7-16-8-11-19;/h1,3,12,16H,2,4-11H2,(H,17,20)(H,18,21);1H
InChIKeyACOKPNDVPYUMOV-UHFFFAOYSA-N
MW360.91 g/mol
LogP0.70
Rot. Bonds8

About N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride

N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119393805) has the molecular formula C15H25ClN4O2S and a molecular weight of 360.91 g/mol. Its IUPAC name is N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119393805
Molecular FormulaC15H25ClN4O2S
Molecular Weight360.91 g/mol
Exact Mass360.14
IUPAC NameN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1cccs1)NCCCN1CCNCC1
InChIInChI=1S/C15H24N4O2S.ClH/c20-14(4-6-18-15(21)13-3-1-12-22-13)17-5-2-9-19-10-7-16-8-11-19;/h1,3,12,16H,2,4-11H2,(H,17,20)(H,18,21);1H
InChIKeyACOKPNDVPYUMOV-UHFFFAOYSA-N
XLogP0.70
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride 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-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
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)-4-thiophen-2-ylbutanamide
CID 43443283
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
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

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 119393805) is N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)c1cccs1)NCCCN1CCNCC1.
What is the InChIKey of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ACOKPNDVPYUMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.ClH/c20-14(4-6-18-15(21)13-3-1-12-22-13)17-5-2-9-19-10-7-16-8-11-19;/h1,3,12,16H,2,4-11H2,(H,17,20)(H,18,21);1H.
What are the key properties of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride?
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119393805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).