2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide

C14H21N3O3 — CID 69033368

IUPAC2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cc(OC)cc(N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-12-7-11(8-13(9-12)20-2)17-5-3-16(4-6-17)10-14(15)18/h7-9H,3-6,10H2,1-2H3,(H2,15,18)
InChIKeyQHUWITHWOYWFJM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.31
Rot. Bonds5

About 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide

2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 69033368) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide
PubChem CID69033368
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cc(OC)cc(N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-12-7-11(8-13(9-12)20-2)17-5-3-16(4-6-17)10-14(15)18/h7-9H,3-6,10H2,1-2H3,(H2,15,18)
InChIKeyQHUWITHWOYWFJM-UHFFFAOYSA-N
XLogP0.31
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
2-[4-hydroxy-4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide
CID 174464839
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide
CID 43187281
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide (CID 69033368) is 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide is COc1cc(OC)cc(N2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is QHUWITHWOYWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-12-7-11(8-13(9-12)20-2)17-5-3-16(4-6-17)10-14(15)18/h7-9H,3-6,10H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide?
2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 69033368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).