4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C20H25ClN4O2 — CID 119447831

IUPAC4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N4O2.ClH/c25-19(22-12-15-24-13-10-21-11-14-24)17-6-8-18(9-7-17)23-20(26)16-4-2-1-3-5-16;/h1-9,21H,10-15H2,(H,22,25)(H,23,26);1H
InChIKeyYSGQZBVDSRWAFY-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.00
Rot. Bonds6

About 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119447831) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119447831
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N4O2.ClH/c25-19(22-12-15-24-13-10-21-11-14-24)17-6-8-18(9-7-17)23-20(26)16-4-2-1-3-5-16;/h1-9,21H,10-15H2,(H,22,25)(H,23,26);1H
InChIKeyYSGQZBVDSRWAFY-UHFFFAOYSA-N
XLogP2.00
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448902
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778
4-(phenylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448903
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119447831) is 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is YSGQZBVDSRWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c25-19(22-12-15-24-13-10-21-11-14-24)17-6-8-18(9-7-17)23-20(26)16-4-2-1-3-5-16;/h1-9,21H,10-15H2,(H,22,25)(H,23,26);1H.
What are the key properties of 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119447831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).