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

C16H25ClN4O2S — CID 120998048

IUPACN-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC(=O)N1CCC(N2CCNCC2)C1)c1cccs1
InChIInChI=1S/C16H24N4O2S.ClH/c21-15(3-5-18-16(22)14-2-1-11-23-14)20-8-4-13(12-20)19-9-6-17-7-10-19;/h1-2,11,13,17H,3-10,12H2,(H,18,22);1H
InChIKeyKTJIYZVUCJHSEI-UHFFFAOYSA-N
MW372.92 g/mol
LogP0.80
Rot. Bonds5

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

N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120998048) has the molecular formula C16H25ClN4O2S and a molecular weight of 372.92 g/mol. Its IUPAC name is N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120998048
Molecular FormulaC16H25ClN4O2S
Molecular Weight372.92 g/mol
Exact Mass372.14
IUPAC NameN-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC(=O)N1CCC(N2CCNCC2)C1)c1cccs1
InChIInChI=1S/C16H24N4O2S.ClH/c21-15(3-5-18-16(22)14-2-1-11-23-14)20-8-4-13(12-20)19-9-6-17-7-10-19;/h1-2,11,13,17H,3-10,12H2,(H,18,22);1H
InChIKeyKTJIYZVUCJHSEI-UHFFFAOYSA-N
XLogP0.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)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-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]thiophene-2-carboxamide
CID 51246927
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[3-[(3R)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788863
N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788864
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride (CID 120998048) is N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCC(=O)N1CCC(N2CCNCC2)C1)c1cccs1.
What is the InChIKey of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is KTJIYZVUCJHSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S.ClH/c21-15(3-5-18-16(22)14-2-1-11-23-14)20-8-4-13(12-20)19-9-6-17-7-10-19;/h1-2,11,13,17H,3-10,12H2,(H,18,22);1H.
What are the key properties of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride?
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 372.92 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120998048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).