6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H22N2O5 — CID 139021501

IUPAC6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)C1COc2ccc(O)cc2O1
InChIInChI=1S/C20H22N2O5/c23-13-7-9-22(10-8-13)16-4-2-1-3-15(16)21-20(25)19-12-26-17-6-5-14(24)11-18(17)27-19/h1-6,11,13,19,23-24H,7-10,12H2,(H,21,25)
InChIKeyHXVPFKIRCNIJJM-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.13
Rot. Bonds3

About 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 139021501) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID139021501
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)C1COc2ccc(O)cc2O1
InChIInChI=1S/C20H22N2O5/c23-13-7-9-22(10-8-13)16-4-2-1-3-15(16)21-20(25)19-12-26-17-6-5-14(24)11-18(17)27-19/h1-6,11,13,19,23-24H,7-10,12H2,(H,21,25)
InChIKeyHXVPFKIRCNIJJM-UHFFFAOYSA-N
XLogP2.13
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 64788239
N-(2-chloro-4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 64787354
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
(3S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7996245
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2670278
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
(3S)-N-(2-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94641222
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
(3R)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724290
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120644886
(3S)-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1084125

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 139021501) is 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccccc1N1CCC(O)CC1)C1COc2ccc(O)cc2O1.
What is the InChIKey of 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HXVPFKIRCNIJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-13-7-9-22(10-8-13)16-4-2-1-3-15(16)21-20(25)19-12-26-17-6-5-14(24)11-18(17)27-19/h1-6,11,13,19,23-24H,7-10,12H2,(H,21,25).
What are the key properties of 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 139021501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).