2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide

C14H21N3O3 — CID 60995776

IUPAC2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1cc(OC)cc(C(C(N)=O)N2CCNCC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-11-7-10(8-12(9-11)20-2)13(14(15)18)17-5-3-16-4-6-17/h7-9,13,16H,3-6H2,1-2H3,(H2,15,18)
InChIKeyQOSVMYRVBYZWQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.14
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide

2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 60995776) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID60995776
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1cc(OC)cc(C(C(N)=O)N2CCNCC2)c1
InChIInChI=1S/C14H21N3O3/c1-19-11-7-10(8-12(9-11)20-2)13(14(15)18)17-5-3-16-4-6-17/h7-9,13,16H,3-6H2,1-2H3,(H2,15,18)
InChIKeyQOSVMYRVBYZWQU-UHFFFAOYSA-N
XLogP0.14
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 61006005
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 65026244
2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
CID 54892096
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
1-[(1S)-1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171286289
2-(1,4-diazepan-1-yl)-2-(3,5-dimethoxyphenyl)ethanol
CID 61050429
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide (CID 60995776) is 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide is COc1cc(OC)cc(C(C(N)=O)N2CCNCC2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is QOSVMYRVBYZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-11-7-10(8-12(9-11)20-2)13(14(15)18)17-5-3-16-4-6-17/h7-9,13,16H,3-6H2,1-2H3,(H2,15,18).
What are the key properties of 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide?
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60995776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).