N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide

C19H21N3O3S — CID 18115079

IUPACN-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c23-17(8-9-20-18(24)15-5-2-1-3-6-15)21-10-12-22(13-11-21)19(25)16-7-4-14-26-16/h1-7,14H,8-13H2,(H,20,24)
InChIKeyYTVVBFHNMSZOSU-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.85
Rot. Bonds5

About N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide

N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide (PubChem CID 18115079) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
PubChem CID18115079
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c23-17(8-9-20-18(24)15-5-2-1-3-6-15)21-10-12-22(13-11-21)19(25)16-7-4-14-26-16/h1-7,14H,8-13H2,(H,20,24)
InChIKeyYTVVBFHNMSZOSU-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide 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

4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
3-(2-aminophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 120608216
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide (CID 18115079) is N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is YTVVBFHNMSZOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(8-9-20-18(24)15-5-2-1-3-6-15)21-10-12-22(13-11-21)19(25)16-7-4-14-26-16/h1-7,14H,8-13H2,(H,20,24).
What are the key properties of N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 18115079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).