3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide

C22H26N2O6 — CID 108558250

IUPAC3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-28-18-12-15(13-19(29-2)20(18)30-3)22(27)24-9-7-16(8-10-24)23-21(26)14-5-4-6-17(25)11-14/h4-6,11-13,16,25H,7-10H2,1-3H3,(H,23,26)
InChIKeyUHIQVOSAGDMNQG-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.45
Rot. Bonds6

About 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide

3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 108558250) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
PubChem CID108558250
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-28-18-12-15(13-19(29-2)20(18)30-3)22(27)24-9-7-16(8-10-24)23-21(26)14-5-4-6-17(25)11-14/h4-6,11-13,16,25H,7-10H2,1-3H3,(H,23,26)
InChIKeyUHIQVOSAGDMNQG-UHFFFAOYSA-N
XLogP2.45
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide
CID 146083702
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide (CID 108558250) is 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide is COc1cc(C(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)cc(OC)c1OC.
What is the InChIKey of 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is UHIQVOSAGDMNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-28-18-12-15(13-19(29-2)20(18)30-3)22(27)24-9-7-16(8-10-24)23-21(26)14-5-4-6-17(25)11-14/h4-6,11-13,16,25H,7-10H2,1-3H3,(H,23,26).
What are the key properties of 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108558250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).