5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride

C16H23Cl2N3O3 — CID 174303552

IUPAC5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride
SMILESCC1COc2c(C(=O)NC3CCN(C)CC3)cc(Cl)c(N)c2O1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-9-8-22-14-11(7-12(17)13(18)15(14)23-9)16(21)19-10-3-5-20(2)6-4-10;/h7,9-10H,3-6,8,18H2,1-2H3,(H,19,21);1H
InChIKeyAWPMYJHMBWLOKM-UHFFFAOYSA-N
MW376.28 g/mol
LogP2.33
Rot. Bonds2

About 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride

5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride (PubChem CID 174303552) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride
PubChem CID174303552
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride
SMILESCC1COc2c(C(=O)NC3CCN(C)CC3)cc(Cl)c(N)c2O1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-9-8-22-14-11(7-12(17)13(18)15(14)23-9)16(21)19-10-3-5-20(2)6-4-10;/h7,9-10H,3-6,8,18H2,1-2H3,(H,19,21);1H
InChIKeyAWPMYJHMBWLOKM-UHFFFAOYSA-N
XLogP2.33
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-chloro-3-methyl-N-[1-(2-methylbutyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 174294583
6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
CID 89396975
4-amino-5-chloro-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;hydrochloride
CID 70071593
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
CID 19783274
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
4-amino-5-chloro-N-[1-[3-(trideuterio(113C)methoxy)propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 121225266
4-amino-5-chloro-N-[1-[3-(trideuteriomethoxy)propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 162656583
5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
CID 47219742
4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride
CID 23627252
tert-butyl 4-[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
CID 69401716
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride?
The IUPAC name of 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride (CID 174303552) is 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride is CC1COc2c(C(=O)NC3CCN(C)CC3)cc(Cl)c(N)c2O1.Cl.
What is the InChIKey of 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride?
The InChIKey is AWPMYJHMBWLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-9-8-22-14-11(7-12(17)13(18)15(14)23-9)16(21)19-10-3-5-20(2)6-4-10;/h7,9-10H,3-6,8,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride?
5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride is sourced from PubChem (CID 174303552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).