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

C22H26ClN3O3 — CID 119445982

IUPAC3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C22H25N3O3.ClH/c26-22(24-12-15-25-13-10-23-11-14-25)21-19(16-27-17-6-2-1-3-7-17)18-8-4-5-9-20(18)28-21;/h1-9,23H,10-16H2,(H,24,26);1H
InChIKeyWZSCVTOMLZRQPJ-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.07
Rot. Bonds7

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

3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119445982) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119445982
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C22H25N3O3.ClH/c26-22(24-12-15-25-13-10-23-11-14-25)21-19(16-27-17-6-2-1-3-7-17)18-8-4-5-9-20(18)28-21;/h1-9,23H,10-16H2,(H,24,26);1H
InChIKeyWZSCVTOMLZRQPJ-UHFFFAOYSA-N
XLogP3.07
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 51187023
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119393656
N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602574
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119445982) is 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is WZSCVTOMLZRQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c26-22(24-12-15-25-13-10-23-11-14-25)21-19(16-27-17-6-2-1-3-7-17)18-8-4-5-9-20(18)28-21;/h1-9,23H,10-16H2,(H,24,26);1H.
What are the key properties of 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119445982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).