(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride

C14H19ClN2O4 — CID 119403665

IUPAC(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2)cc2c1OCCO2.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-18-11-8-10(9-12-13(11)20-7-6-19-12)14(17)16-4-2-15-3-5-16;/h8-9,15H,2-7H2,1H3;1H
InChIKeyVOKGOWFBDAIOCV-UHFFFAOYSA-N
MW314.77 g/mol
LogP0.93
Rot. Bonds2

About (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride

(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403665) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403665
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2)cc2c1OCCO2.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-18-11-8-10(9-12-13(11)20-7-6-19-12)14(17)16-4-2-15-3-5-16;/h8-9,15H,2-7H2,1H3;1H
InChIKeyVOKGOWFBDAIOCV-UHFFFAOYSA-N
XLogP0.93
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580584
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997526
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823915
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257314
5-methoxy-N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119394320
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24643450
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403962
5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17472806
1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951124
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119403665) is (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride is COc1cc(C(=O)N2CCNCC2)cc2c1OCCO2.Cl.
What is the InChIKey of (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is VOKGOWFBDAIOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.ClH/c1-18-11-8-10(9-12-13(11)20-7-6-19-12)14(17)16-4-2-15-3-5-16;/h8-9,15H,2-7H2,1H3;1H.
What are the key properties of (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride?
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).