2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide

C19H22ClN3O2S — CID 9180673

IUPAC2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c20-17-4-2-1-3-16(17)19(25)21-7-5-18(24)23-10-8-22(9-11-23)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H,21,25)
InChIKeyFCMAVHIAFSVIMJ-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.87
Rot. Bonds6

About 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide

2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide (PubChem CID 9180673) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
PubChem CID9180673
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c20-17-4-2-1-3-16(17)19(25)21-7-5-18(24)23-10-8-22(9-11-23)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H,21,25)
InChIKeyFCMAVHIAFSVIMJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]benzamide
CID 9109853
4-tert-butyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
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2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
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4-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
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5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
N-[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 9077292
N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-chlorobenzamide
CID 7964636
N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 38991392
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
N-[2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110960066
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide (CID 9180673) is 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is FCMAVHIAFSVIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-17-4-2-1-3-16(17)19(25)21-7-5-18(24)23-10-8-22(9-11-23)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2,(H,21,25).
What are the key properties of 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide?
2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 391.92 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 9180673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).