5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride

C15H20BrClN2O3 — CID 119460175

IUPAC5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C15H19BrN2O3.ClH/c16-12-6-11(7-13-14(12)21-5-4-20-13)15(19)18-9-10-2-1-3-17-8-10;/h6-7,10,17H,1-5,8-9H2,(H,18,19);1H
InChIKeyLOWAXPPRPXGJGW-UHFFFAOYSA-N
MW391.69 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride

5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride (PubChem CID 119460175) has the molecular formula C15H20BrClN2O3 and a molecular weight of 391.69 g/mol. Its IUPAC name is 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
PubChem CID119460175
Molecular FormulaC15H20BrClN2O3
Molecular Weight391.69 g/mol
Exact Mass390.03
IUPAC Name5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C15H19BrN2O3.ClH/c16-12-6-11(7-13-14(12)21-5-4-20-13)15(19)18-9-10-2-1-3-17-8-10;/h6-7,10,17H,1-5,8-9H2,(H,18,19);1H
InChIKeyLOWAXPPRPXGJGW-UHFFFAOYSA-N
XLogP2.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.69
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 119463931
5-bromo-N-piperidin-3-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119424577
7-bromo-N-(2-pyrrolidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119537484
5-bromo-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119386112
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 120651714
5-bromo-N-propyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56800587
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
CID 119461766
6-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 80553709
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride (CID 119460175) is 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
The InChIKey is LOWAXPPRPXGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3.ClH/c16-12-6-11(7-13-14(12)21-5-4-20-13)15(19)18-9-10-2-1-3-17-8-10;/h6-7,10,17H,1-5,8-9H2,(H,18,19);1H.
What are the key properties of 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride?
5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride has a molecular weight of 391.69 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119460175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).