3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride

C20H22ClN3O2 — CID 66894439

IUPAC3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2cc(N3CCNCC3)c3occc3c2)c1.Cl
InChIInChI=1S/C20H21N3O2.ClH/c1-14-3-2-4-16(11-14)20(24)22-17-12-15-5-10-25-19(15)18(13-17)23-8-6-21-7-9-23;/h2-5,10-13,21H,6-9H2,1H3,(H,22,24);1H
InChIKeyVXIDWCDVRYVHQK-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.82
Rot. Bonds3

About 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride

3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride (PubChem CID 66894439) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride
PubChem CID66894439
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)Nc2cc(N3CCNCC3)c3occc3c2)c1.Cl
InChIInChI=1S/C20H21N3O2.ClH/c1-14-3-2-4-16(11-14)20(24)22-17-12-15-5-10-25-19(15)18(13-17)23-8-6-21-7-9-23;/h2-5,10-13,21H,6-9H2,1H3,(H,22,24);1H
InChIKeyVXIDWCDVRYVHQK-UHFFFAOYSA-N
XLogP3.82
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 140512107
1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 66893590
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
3-tert-butyl-N-(3-methylphenyl)-5-piperazin-1-ylbenzamide
CID 70645937
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[3-[(3,5-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326500
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
3-methylbenzoic acid;1-methylpiperazine
CID 174580798
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride?
The IUPAC name of 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride (CID 66894439) is 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride is Cc1cccc(C(=O)Nc2cc(N3CCNCC3)c3occc3c2)c1.Cl.
What is the InChIKey of 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride?
The InChIKey is VXIDWCDVRYVHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.ClH/c1-14-3-2-4-16(11-14)20(24)22-17-12-15-5-10-25-19(15)18(13-17)23-8-6-21-7-9-23;/h2-5,10-13,21H,6-9H2,1H3,(H,22,24);1H.
What are the key properties of 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride?
3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 66894439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).