2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide

C16H25N3O2 — CID 83978037

IUPAC2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
SMILESCOc1cccc(C(C(=O)N(C)C)N2CCNCC2C)c1
InChIInChI=1S/C16H25N3O2/c1-12-11-17-8-9-19(12)15(16(20)18(2)3)13-6-5-7-14(10-13)21-4/h5-7,10,12,15,17H,8-9,11H2,1-4H3
InChIKeyLZDPACDDYIMCFY-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.12
Rot. Bonds4

About 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide

2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 83978037) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID83978037
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
SMILESCOc1cccc(C(C(=O)N(C)C)N2CCNCC2C)c1
InChIInChI=1S/C16H25N3O2/c1-12-11-17-8-9-19(12)15(16(20)18(2)3)13-6-5-7-14(10-13)21-4/h5-7,10,12,15,17H,8-9,11H2,1-4H3
InChIKeyLZDPACDDYIMCFY-UHFFFAOYSA-N
XLogP1.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
2-(4-ethylphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978474
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
CID 116910975
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 83979929

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide (CID 83978037) is 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide is COc1cccc(C(C(=O)N(C)C)N2CCNCC2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is LZDPACDDYIMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-11-17-8-9-19(12)15(16(20)18(2)3)13-6-5-7-14(10-13)21-4/h5-7,10,12,15,17H,8-9,11H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide?
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 83978037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).