N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide

C17H27N3O3 — CID 8871922

IUPACN-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(CN2CCN(CCNC(C)=O)CC2)cc1OC
InChIInChI=1S/C17H27N3O3/c1-14(21)18-6-7-19-8-10-20(11-9-19)13-15-4-5-16(22-2)17(12-15)23-3/h4-5,12H,6-11,13H2,1-3H3,(H,18,21)
InChIKeyRTIUXKFYTKEZHV-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.96
Rot. Bonds7

About N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 8871922) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
PubChem CID8871922
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(CN2CCN(CCNC(C)=O)CC2)cc1OC
InChIInChI=1S/C17H27N3O3/c1-14(21)18-6-7-19-8-10-20(11-9-19)13-15-4-5-16(22-2)17(12-15)23-3/h4-5,12H,6-11,13H2,1-3H3,(H,18,21)
InChIKeyRTIUXKFYTKEZHV-UHFFFAOYSA-N
XLogP0.96
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8721119
4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113109976
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
tert-butyl N-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 9474963
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide (CID 8871922) is N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide is COc1ccc(CN2CCN(CCNC(C)=O)CC2)cc1OC.
What is the InChIKey of N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is RTIUXKFYTKEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14(21)18-6-7-19-8-10-20(11-9-19)13-15-4-5-16(22-2)17(12-15)23-3/h4-5,12H,6-11,13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 8871922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).