N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

C17H24N2O4 — CID 108511925

IUPACN-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C17H24N2O4/c1-11-6-5-7-12(2)19(11)17(21)16(20)18-14-10-13(22-3)8-9-15(14)23-4/h8-12H,5-7H2,1-4H3,(H,18,20)
InChIKeyNQIZMCVEJZLNPO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.43
Rot. Bonds3

About N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108511925) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108511925
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C17H24N2O4/c1-11-6-5-7-12(2)19(11)17(21)16(20)18-14-10-13(22-3)8-9-15(14)23-4/h8-12H,5-7H2,1-4H3,(H,18,20)
InChIKeyNQIZMCVEJZLNPO-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108511917
N-(2,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368854
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110767883
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36897882
N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987415
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108511925) is N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is COc1ccc(OC)c(NC(=O)C(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is NQIZMCVEJZLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-6-5-7-12(2)19(11)17(21)16(20)18-14-10-13(22-3)8-9-15(14)23-4/h8-12H,5-7H2,1-4H3,(H,18,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 320.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108511925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).