N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide

C23H28N2O6 — CID 108549752

IUPACN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C23H28N2O6/c1-28-16-7-5-8-17(29-2)20(16)22(26)24-15-11-13-25(14-12-15)23(27)21-18(30-3)9-6-10-19(21)31-4/h5-10,15H,11-14H2,1-4H3,(H,24,26)
InChIKeyQRGDTVHEYGMVHG-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.76
Rot. Bonds7

About N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide (PubChem CID 108549752) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
PubChem CID108549752
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C23H28N2O6/c1-28-16-7-5-8-17(29-2)20(16)22(26)24-15-11-13-25(14-12-15)23(27)21-18(30-3)9-6-10-19(21)31-4/h5-10,15H,11-14H2,1-4H3,(H,24,26)
InChIKeyQRGDTVHEYGMVHG-UHFFFAOYSA-N
XLogP2.76
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide (CID 108549752) is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide?
The InChIKey is QRGDTVHEYGMVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-28-16-7-5-8-17(29-2)20(16)22(26)24-15-11-13-25(14-12-15)23(27)21-18(30-3)9-6-10-19(21)31-4/h5-10,15H,11-14H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide?
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 108549752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).