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

C16H22N2O5 — CID 118785069

IUPAC3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2C)[C@H](O)C1
InChIInChI=1S/C16H22N2O5/c1-10-11(4-3-5-13(10)19)16(22)17-12-6-7-18(8-14(12)20)15(21)9-23-2/h3-5,12,14,19-20H,6-9H2,1-2H3,(H,17,22)/t12-,14-/m1/s1
InChIKeyDUMMCJHJYMMBSG-TZMCWYRMSA-N
MW322.36 g/mol
LogP0.04
Rot. Bonds4

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

3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 118785069) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID118785069
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide
SMILESCOCC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2C)[C@H](O)C1
InChIInChI=1S/C16H22N2O5/c1-10-11(4-3-5-13(10)19)16(22)17-12-6-7-18(8-14(12)20)15(21)9-23-2/h3-5,12,14,19-20H,6-9H2,1-2H3,(H,17,22)/t12-,14-/m1/s1
InChIKeyDUMMCJHJYMMBSG-TZMCWYRMSA-N
XLogP0.04
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3-methoxybenzamide
CID 118777593
1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 118775675
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
3-hydroxy-2-methyl-N-(2-propylcyclopropyl)benzamide
CID 103873583
1-[(3R,4R)-3-hydroxy-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]-2-methoxyethanone
CID 118779761
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide (CID 118785069) is 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide is COCC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2C)[C@H](O)C1.
What is the InChIKey of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is DUMMCJHJYMMBSG-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10-11(4-3-5-13(10)19)16(22)17-12-6-7-18(8-14(12)20)15(21)9-23-2/h3-5,12,14,19-20H,6-9H2,1-2H3,(H,17,22)/t12-,14-/m1/s1.
What are the key properties of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide?
3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 118785069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).