N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

C23H27N3O5 — CID 108550402

IUPACN-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O5/c1-30-18-9-6-10-19(31-2)21(18)23(29)26-13-11-17(12-14-26)25-20(27)15-24-22(28)16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyAZQZPLPRJXTJOI-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.85
Rot. Bonds7

About N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 108550402) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID108550402
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O5/c1-30-18-9-6-10-19(31-2)21(18)23(29)26-13-11-17(12-14-26)25-20(27)15-24-22(28)16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyAZQZPLPRJXTJOI-UHFFFAOYSA-N
XLogP1.85
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108533941
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55951097
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 108550402) is N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is AZQZPLPRJXTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-18-9-6-10-19(31-2)21(18)23(29)26-13-11-17(12-14-26)25-20(27)15-24-22(28)16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108550402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).