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

C15H22ClN3O2 — CID 119447753

IUPACN-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1Cc2ccccc2O1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(17-7-10-18-8-5-16-6-9-18)14-11-12-3-1-2-4-13(12)20-14;/h1-4,14,16H,5-11H2,(H,17,19);1H
InChIKeyZAXKNOADHDAERX-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.43
Rot. Bonds4

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

N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119447753) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119447753
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1Cc2ccccc2O1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(17-7-10-18-8-5-16-6-9-18)14-11-12-3-1-2-4-13(12)20-14;/h1-4,14,16H,5-11H2,(H,17,19);1H
InChIKeyZAXKNOADHDAERX-UHFFFAOYSA-N
XLogP0.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
5,6-dimethyl-N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119394601
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119557953
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119447753) is N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is ZAXKNOADHDAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c19-15(17-7-10-18-8-5-16-6-9-18)14-11-12-3-1-2-4-13(12)20-14;/h1-4,14,16H,5-11H2,(H,17,19);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 0.43, 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)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119447753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).