N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H22N2O3 — CID 2996637

IUPACN-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O3/c23-20(15-8-9-18-19(14-15)25-13-12-24-18)21-16-6-2-3-7-17(16)22-10-4-1-5-11-22/h2-3,6-9,14H,1,4-5,10-13H2,(H,21,23)
InChIKeyZBZLVSNNUDSVKJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.70
Rot. Bonds3

About N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2996637) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2996637
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O3/c23-20(15-8-9-18-19(14-15)25-13-12-24-18)21-16-6-2-3-7-17(16)22-10-4-1-5-11-22/h2-3,6-9,14H,1,4-5,10-13H2,(H,21,23)
InChIKeyZBZLVSNNUDSVKJ-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1254488
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
6-chloro-N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55387685
N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 3988371
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4511810
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2996637) is N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ZBZLVSNNUDSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(15-8-9-18-19(14-15)25-13-12-24-18)21-16-6-2-3-7-17(16)22-10-4-1-5-11-22/h2-3,6-9,14H,1,4-5,10-13H2,(H,21,23).
What are the key properties of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2996637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).