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

C21H27ClN4O2 — CID 119447939

IUPAC3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-16-7-8-18(20(26)23-11-14-25-12-9-22-10-13-25)15-19(16)24-21(27)17-5-3-2-4-6-17;/h2-8,15,22H,9-14H2,1H3,(H,23,26)(H,24,27);1H
InChIKeyQDABMKXXTIIGNB-UHFFFAOYSA-N
MW402.93 g/mol
LogP2.30
Rot. Bonds6

About 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119447939) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119447939
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-16-7-8-18(20(26)23-11-14-25-12-9-22-10-13-25)15-19(16)24-21(27)17-5-3-2-4-6-17;/h2-8,15,22H,9-14H2,1H3,(H,23,26)(H,24,27);1H
InChIKeyQDABMKXXTIIGNB-UHFFFAOYSA-N
XLogP2.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119447939) is 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cc1ccc(C(=O)NCCN2CCNCC2)cc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is QDABMKXXTIIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.ClH/c1-16-7-8-18(20(26)23-11-14-25-12-9-22-10-13-25)15-19(16)24-21(27)17-5-3-2-4-6-17;/h2-8,15,22H,9-14H2,1H3,(H,23,26)(H,24,27);1H.
What are the key properties of 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119447939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).