N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride

C26H26ClN3O2 — CID 135362775

IUPACN-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1cc2ccc(CN3CCNCC3)cc2o1)c1ccccc1
InChIInChI=1S/C26H25N3O2.ClH/c30-26(20-6-2-1-3-7-20)28-23-9-5-4-8-22(23)25-17-21-11-10-19(16-24(21)31-25)18-29-14-12-27-13-15-29;/h1-11,16-17,27H,12-15,18H2,(H,28,30);1H
InChIKeyVXRKWROJHQZLBS-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.18
Rot. Bonds5

About N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride

N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride (PubChem CID 135362775) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride
PubChem CID135362775
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC NameN-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1cc2ccc(CN3CCNCC3)cc2o1)c1ccccc1
InChIInChI=1S/C26H25N3O2.ClH/c30-26(20-6-2-1-3-7-20)28-23-9-5-4-8-22(23)25-17-21-11-10-19(16-24(21)31-25)18-29-14-12-27-13-15-29;/h1-11,16-17,27H,12-15,18H2,(H,28,30);1H
InChIKeyVXRKWROJHQZLBS-UHFFFAOYSA-N
XLogP5.18
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride
CID 142459212
4-nitro-N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide
CID 142459110
3-nitro-N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide
CID 142459152
1-naphthalen-1-yl-3-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]urea;hydrochloride
CID 142459153
tert-butyl 4-[[2-[2-(pyridine-3-carbonylamino)phenyl]-1-benzofuran-6-yl]methyl]piperazine-1-carboxylate
CID 142459219
2-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]pyridine-3-carboxamide
CID 142459198
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-(1-benzofuran-2-yl)-6-(piperazin-1-ylmethyl)isoquinoline
CID 122457812
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide
CID 25144870
3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 59679890

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride (CID 135362775) is N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride is Cl.O=C(Nc1ccccc1-c1cc2ccc(CN3CCNCC3)cc2o1)c1ccccc1.
What is the InChIKey of N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride?
The InChIKey is VXRKWROJHQZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2.ClH/c30-26(20-6-2-1-3-7-20)28-23-9-5-4-8-22(23)25-17-21-11-10-19(16-24(21)31-25)18-29-14-12-27-13-15-29;/h1-11,16-17,27H,12-15,18H2,(H,28,30);1H.
What are the key properties of N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride?
N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride has a molecular weight of 447.97 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(piperazin-1-ylmethyl)-1-benzofuran-2-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 135362775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).