4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide

C19H24N4O2S — CID 30740336

IUPAC4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C19H24N4O2S/c20-19(25)16-1-3-17(4-2-16)21-18(24)5-7-22-8-10-23(11-9-22)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H2,20,25)(H,21,24)
InChIKeyCANYEPYDJWJRJL-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.99
Rot. Bonds7

About 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide

4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide (PubChem CID 30740336) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide
PubChem CID30740336
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C19H24N4O2S/c20-19(25)16-1-3-17(4-2-16)21-18(24)5-7-22-8-10-23(11-9-22)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H2,20,25)(H,21,24)
InChIKeyCANYEPYDJWJRJL-UHFFFAOYSA-N
XLogP1.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
N-(3-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491999
N-(3-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17451461
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
N-(4-bromo-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491998
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide (CID 30740336) is 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide?
The InChIKey is CANYEPYDJWJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c20-19(25)16-1-3-17(4-2-16)21-18(24)5-7-22-8-10-23(11-9-22)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H2,20,25)(H,21,24).
What are the key properties of 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide?
4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide has a molecular weight of 372.49 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 30740336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).