N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride

C21H25ClN2O3 — CID 20544688

IUPACN-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1OCCO2
InChIInChI=1S/C21H24N2O3.ClH/c24-21(18-7-4-8-19-20(18)26-14-13-25-19)22-17-9-11-23(12-10-17)15-16-5-2-1-3-6-16;/h1-8,17H,9-15H2,(H,22,24);1H
InChIKeyGLMVBXWFYVQEKL-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.27
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride

N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride (PubChem CID 20544688) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
PubChem CID20544688
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1OCCO2
InChIInChI=1S/C21H24N2O3.ClH/c24-21(18-7-4-8-19-20(18)26-14-13-25-19)22-17-9-11-23(12-10-17)15-16-5-2-1-3-6-16;/h1-8,17H,9-15H2,(H,22,24);1H
InChIKeyGLMVBXWFYVQEKL-UHFFFAOYSA-N
XLogP3.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
N-(1-benzylpiperidin-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 2814953
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 20544751
N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 35558175
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 91631941
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride (CID 20544688) is N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride is Cl.O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc2c1OCCO2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride?
The InChIKey is GLMVBXWFYVQEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c24-21(18-7-4-8-19-20(18)26-14-13-25-19)22-17-9-11-23(12-10-17)15-16-5-2-1-3-6-16;/h1-8,17H,9-15H2,(H,22,24);1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride?
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride is sourced from PubChem (CID 20544688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).