N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride

C15H21ClN2O3 — CID 71641052

IUPACN-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1COc2ccccc2O1)[C@H]1CCCNC1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-17(11-5-4-8-16-9-11)15(18)14-10-19-12-6-2-3-7-13(12)20-14;/h2-3,6-7,11,14,16H,4-5,8-10H2,1H3;1H/t11-,14?;/m0./s1
InChIKeyFQNWOJNAGFXDJF-ZWUXEHSLSA-N
MW312.80 g/mol
LogP1.46
Rot. Bonds2

About N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride

N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride (PubChem CID 71641052) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
PubChem CID71641052
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1COc2ccccc2O1)[C@H]1CCCNC1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-17(11-5-4-8-16-9-11)15(18)14-10-19-12-6-2-3-7-13(12)20-14;/h2-3,6-7,11,14,16H,4-5,8-10H2,1H3;1H/t11-,14?;/m0./s1
InChIKeyFQNWOJNAGFXDJF-ZWUXEHSLSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride (CID 71641052) is N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride is CN(C(=O)C1COc2ccccc2O1)[C@H]1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
The InChIKey is FQNWOJNAGFXDJF-ZWUXEHSLSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-17(11-5-4-8-16-9-11)15(18)14-10-19-12-6-2-3-7-13(12)20-14;/h2-3,6-7,11,14,16H,4-5,8-10H2,1H3;1H/t11-,14?;/m0./s1.
What are the key properties of N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride?
N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71641052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).