N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119449206

IUPACN-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C15H19N3O2.ClH/c19-15(17-7-10-18-8-5-16-6-9-18)13-11-20-14-4-2-1-3-12(13)14;/h1-4,11,16H,5-10H2,(H,17,19);1H
InChIKeyAJLABRNXDQTESX-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.49
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride

N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride (PubChem CID 119449206) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
PubChem CID119449206
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C15H19N3O2.ClH/c19-15(17-7-10-18-8-5-16-6-9-18)13-11-20-14-4-2-1-3-12(13)14;/h1-4,11,16H,5-10H2,(H,17,19);1H
InChIKeyAJLABRNXDQTESX-UHFFFAOYSA-N
XLogP1.49
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
CID 115230477
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
CID 126768915
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride (CID 119449206) is N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1coc2ccccc12.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride?
The InChIKey is AJLABRNXDQTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-15(17-7-10-18-8-5-16-6-9-18)13-11-20-14-4-2-1-3-12(13)14;/h1-4,11,16H,5-10H2,(H,17,19);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119449206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).