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

C19H21N3O5 — CID 91835978

IUPAC3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cc1O
InChIInChI=1S/C19H21N3O5/c1-27-17-6-5-12(10-15(17)23)18(25)21-13-7-9-22(11-16(13)24)19(26)14-4-2-3-8-20-14/h2-6,8,10,13,16,23-24H,7,9,11H2,1H3,(H,21,25)/t13-,16-/m1/s1
InChIKeyWNHUCWIHZIVVCW-CZUORRHYSA-N
MW371.39 g/mol
LogP0.80
Rot. Bonds4

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

3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide (PubChem CID 91835978) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
PubChem CID91835978
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cc1O
InChIInChI=1S/C19H21N3O5/c1-27-17-6-5-12(10-15(17)23)18(25)21-13-7-9-22(11-16(13)24)19(26)14-4-2-3-8-20-14/h2-6,8,10,13,16,23-24H,7,9,11H2,1H3,(H,21,25)/t13-,16-/m1/s1
InChIKeyWNHUCWIHZIVVCW-CZUORRHYSA-N
XLogP0.80
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 91840759
N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 91843922
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70756562
benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
2-(cyclopropylmethylsulfanyl)-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 91831433
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91834088
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
[(3R,4R)-3-hydroxy-4-[(4-methylphthalazin-1-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 118780699
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide (CID 91835978) is 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cc1O.
What is the InChIKey of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is WNHUCWIHZIVVCW-CZUORRHYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-27-17-6-5-12(10-15(17)23)18(25)21-13-7-9-22(11-16(13)24)19(26)14-4-2-3-8-20-14/h2-6,8,10,13,16,23-24H,7,9,11H2,1H3,(H,21,25)/t13-,16-/m1/s1.
What are the key properties of 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide?
3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 371.39 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 91835978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).