N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide

C16H25N3O3 — CID 69348391

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)CC2CNCCN2)cc1OC
InChIInChI=1S/C16H25N3O3/c1-21-14-4-3-12(9-15(14)22-2)5-6-19-16(20)10-13-11-17-7-8-18-13/h3-4,9,13,17-18H,5-8,10-11H2,1-2H3,(H,19,20)
InChIKeyPDHNABRZDIBOLO-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.31
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide (PubChem CID 69348391) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide
PubChem CID69348391
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)CC2CNCCN2)cc1OC
InChIInChI=1S/C16H25N3O3/c1-21-14-4-3-12(9-15(14)22-2)5-6-19-16(20)10-13-11-17-7-8-18-13/h3-4,9,13,17-18H,5-8,10-11H2,1-2H3,(H,19,20)
InChIKeyPDHNABRZDIBOLO-UHFFFAOYSA-N
XLogP0.31
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
CID 119675375
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxocyclohexyl)acetamide
CID 101465774
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 21175171
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9246100
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 5064395
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide (CID 69348391) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide is COc1ccc(CCNC(=O)CC2CNCCN2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide?
The InChIKey is PDHNABRZDIBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-14-4-3-12(9-15(14)22-2)5-6-19-16(20)10-13-11-17-7-8-18-13/h3-4,9,13,17-18H,5-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide has a molecular weight of 307.39 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-2-ylacetamide is sourced from PubChem (CID 69348391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).