2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

C16H22Cl2N2O3 — CID 120554213

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CNCCC1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2.Cl
InChIInChI=1S/C16H21ClN2O3.ClH/c1-10-9-18-3-2-13(10)19-15(20)8-11-6-12(17)16-14(7-11)21-4-5-22-16;/h6-7,10,13,18H,2-5,8-9H2,1H3,(H,19,20);1H
InChIKeyDQSQSDANHGCIMK-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.19
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120554213) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120554213
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1CNCCC1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2.Cl
InChIInChI=1S/C16H21ClN2O3.ClH/c1-10-9-18-3-2-13(10)19-15(20)8-11-6-12(17)16-14(7-11)21-4-5-22-16;/h6-7,10,13,18H,2-5,8-9H2,1H3,(H,19,20);1H
InChIKeyDQSQSDANHGCIMK-UHFFFAOYSA-N
XLogP2.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride with MolForge

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Related Compounds

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 55471727
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-ethylcyclohexyl)acetamide
CID 112816529
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-cyclopropylacetamide
CID 27005607
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922766
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119544338
N-(2-acetamidoethyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 31947484
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 38401142
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethoxyacetamide
CID 47129259

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120554213) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is CC1CNCCC1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2.Cl.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is DQSQSDANHGCIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3.ClH/c1-10-9-18-3-2-13(10)19-15(20)8-11-6-12(17)16-14(7-11)21-4-5-22-16;/h6-7,10,13,18H,2-5,8-9H2,1H3,(H,19,20);1H.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 361.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120554213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).