N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide

C16H25N3O3 — CID 119920227

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)Nc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C16H25N3O3/c1-17-13-5-4-8-19(10-13)11-16(20)18-12-6-7-14(21-2)15(9-12)22-3/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChIKeyWPUGXVQSTGAKLJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.33
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide (PubChem CID 119920227) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
PubChem CID119920227
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)Nc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C16H25N3O3/c1-17-13-5-4-8-19(10-13)11-16(20)18-12-6-7-14(21-2)15(9-12)22-3/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChIKeyWPUGXVQSTGAKLJ-UHFFFAOYSA-N
XLogP1.33
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
N-(3,4-dimethoxyphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930671
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide (CID 119920227) is N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide is CNC1CCCN(CC(=O)Nc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is WPUGXVQSTGAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-17-13-5-4-8-19(10-13)11-16(20)18-12-6-7-14(21-2)15(9-12)22-3/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 119920227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).