3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

C20H25N3O3 — CID 91834182

IUPAC3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCCOc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1
InChIInChI=1S/C20H25N3O3/c1-2-26-17-8-5-6-15(12-17)20(25)22-18-9-11-23(14-19(18)24)13-16-7-3-4-10-21-16/h3-8,10,12,18-19,24H,2,9,11,13-14H2,1H3,(H,22,25)/t18-,19-/m1/s1
InChIKeyIMQCLZQOBWMPNB-RTBURBONSA-N
MW355.44 g/mol
LogP1.85
Rot. Bonds6

About 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 91834182) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID91834182
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCCOc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1
InChIInChI=1S/C20H25N3O3/c1-2-26-17-8-5-6-15(12-17)20(25)22-18-9-11-23(14-19(18)24)13-16-7-3-4-10-21-16/h3-8,10,12,18-19,24H,2,9,11,13-14H2,1H3,(H,22,25)/t18-,19-/m1/s1
InChIKeyIMQCLZQOBWMPNB-RTBURBONSA-N
XLogP1.85
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
CID 91841222
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 91843528
5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 164642664
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289
4-acetamido-5-chloro-N-[(3S,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxybenzamide
CID 67914575
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118787893
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
CID 91832262
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 91837997
4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(pyridin-2-ylmethyl)azepan-3-yl]benzamide
CID 26741996
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91830426
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 91834182) is 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is CCOc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)c1.
What is the InChIKey of 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is IMQCLZQOBWMPNB-RTBURBONSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-26-17-8-5-6-15(12-17)20(25)22-18-9-11-23(14-19(18)24)13-16-7-3-4-10-21-16/h3-8,10,12,18-19,24H,2,9,11,13-14H2,1H3,(H,22,25)/t18-,19-/m1/s1.
What are the key properties of 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91834182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).