2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide

C16H22N2O6 — CID 118777593

IUPAC2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOCC(=O)N1CC[C@@H](NC(=O)c2cccc(OC)c2O)[C@H](O)C1
InChIInChI=1S/C16H22N2O6/c1-23-9-14(20)18-7-6-11(12(19)8-18)17-16(22)10-4-3-5-13(24-2)15(10)21/h3-5,11-12,19,21H,6-9H2,1-2H3,(H,17,22)/t11-,12-/m1/s1
InChIKeyDGNPBWDYFLRRON-VXGBXAGGSA-N
MW338.36 g/mol
LogP-0.26
Rot. Bonds5

About 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide

2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 118777593) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID118777593
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOCC(=O)N1CC[C@@H](NC(=O)c2cccc(OC)c2O)[C@H](O)C1
InChIInChI=1S/C16H22N2O6/c1-23-9-14(20)18-7-6-11(12(19)8-18)17-16(22)10-4-3-5-13(24-2)15(10)21/h3-5,11-12,19,21H,6-9H2,1-2H3,(H,17,22)/t11-,12-/m1/s1
InChIKeyDGNPBWDYFLRRON-VXGBXAGGSA-N
XLogP-0.26
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide
CID 118785069
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
CID 118769350
N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 118775675
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
CID 91836572
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide (CID 118777593) is 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide is COCC(=O)N1CC[C@@H](NC(=O)c2cccc(OC)c2O)[C@H](O)C1.
What is the InChIKey of 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is DGNPBWDYFLRRON-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-23-9-14(20)18-7-6-11(12(19)8-18)17-16(22)10-4-3-5-13(24-2)15(10)21/h3-5,11-12,19,21H,6-9H2,1-2H3,(H,17,22)/t11-,12-/m1/s1.
What are the key properties of 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide?
2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 338.36 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 118777593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).