1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride

C14H19ClN2O2 — CID 119579585

IUPAC1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc3c(c2)COC3)CCN1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-7-16(5-4-15-10)14(17)11-2-3-12-8-18-9-13(12)6-11;/h2-3,6,10,15H,4-5,7-9H2,1H3;1H
InChIKeyXGINRDAJGKDGQH-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.57
Rot. Bonds1

About 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride

1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119579585) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119579585
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc3c(c2)COC3)CCN1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-7-16(5-4-15-10)14(17)11-2-3-12-8-18-9-13(12)6-11;/h2-3,6,10,15H,4-5,7-9H2,1H3;1H
InChIKeyXGINRDAJGKDGQH-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-methylpiperazin-1-yl)methanone
CID 119579450

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119579585) is 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc3c(c2)COC3)CCN1.Cl.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is XGINRDAJGKDGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-10-7-16(5-4-15-10)14(17)11-2-3-12-8-18-9-13(12)6-11;/h2-3,6,10,15H,4-5,7-9H2,1H3;1H.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride?
1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119579585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).