1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide

C17H25N3O4 — CID 16909656

IUPAC1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-18-17(22)12-6-8-20(9-7-12)11-16(21)19-13-4-5-14(23-2)15(10-13)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyRGXILIPEPSFTAS-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.10
Rot. Bonds6

About 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 16909656) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
PubChem CID16909656
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-18-17(22)12-6-8-20(9-7-12)11-16(21)19-13-4-5-14(23-2)15(10-13)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyRGXILIPEPSFTAS-UHFFFAOYSA-N
XLogP1.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 16909562
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 16909583
N-(3,4-dimethoxyphenyl)-2-(4-pyrazol-1-ylpiperidin-1-yl)acetamide
CID 136524524
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120776425
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide (CID 16909656) is 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is RGXILIPEPSFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-18-17(22)12-6-8-20(9-7-12)11-16(21)19-13-4-5-14(23-2)15(10-13)24-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 16909656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).