2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride

C19H22ClNO5 — CID 138399237

IUPAC2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride
SMILESCc1c(C(=O)OCCN2CCCCC2)oc2cc3c(cc12)OC=CO3.Cl
InChIInChI=1S/C19H21NO5.ClH/c1-13-14-11-16-17(23-10-9-22-16)12-15(14)25-18(13)19(21)24-8-7-20-5-3-2-4-6-20;/h9-12H,2-8H2,1H3;1H
InChIKeyPEADGMIQEUCUMF-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.05
Rot. Bonds4

About 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride

2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride (PubChem CID 138399237) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride
PubChem CID138399237
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride
SMILESCc1c(C(=O)OCCN2CCCCC2)oc2cc3c(cc12)OC=CO3.Cl
InChIInChI=1S/C19H21NO5.ClH/c1-13-14-11-16-17(23-10-9-22-16)12-15(14)25-18(13)19(21)24-8-7-20-5-3-2-4-6-20;/h9-12H,2-8H2,1H3;1H
InChIKeyPEADGMIQEUCUMF-UHFFFAOYSA-N
XLogP4.05
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride with MolForge

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Related Compounds

Piprofurol
CID 38596
3-Methoxybenzyl 3-Methyl-4-(Piperidin-4-Yloxy)-1-Benzofuran-2-Carboxylate
CID 60210957
Mecinarone
CID 6433971
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride
CID 73356785
11-[3-(Dimethylamino)propoxy]-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
CID 10043528
11-[3-(Dimethylamino)propoxy]-4-methyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
CID 10043762
(Z)-1-(2-((3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 16403653
Benzyl 3-methyl-4-(4-piperidyloxy)benzofuran-2-carboxylate
CID 71453514
1-[6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-one
CID 33455
Amikhelline
CID 71198
Ethyl 4-hydroxy-3-(morpholinomethyl)benzofuran-2-carboxylate hydrochloride
CID 2882661
diethyl 1-methyl-9-oxo-8,9-dihydro-1'H-spiro[furo[3,2-f]chromene-7,4'-piperidine]-1',2-dicarboxylate
CID 3236455

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride (CID 138399237) is 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride is Cc1c(C(=O)OCCN2CCCCC2)oc2cc3c(cc12)OC=CO3.Cl.
What is the InChIKey of 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride?
The InChIKey is PEADGMIQEUCUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5.ClH/c1-13-14-11-16-17(23-10-9-22-16)12-15(14)25-18(13)19(21)24-8-7-20-5-3-2-4-6-20;/h9-12H,2-8H2,1H3;1H.
What are the key properties of 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride?
2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride is sourced from PubChem (CID 138399237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).