2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid

C16H24N2O5 — CID 83979929

IUPAC2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(OC)c(C(C(=O)O)N2CCNCC2C)cc1OC
InChIInChI=1S/C16H24N2O5/c1-10-9-17-5-6-18(10)15(16(19)20)11-7-13(22-3)14(23-4)8-12(11)21-2/h7-8,10,15,17H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyUVCQVNVXPLSVKX-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.13
Rot. Bonds6

About 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid

2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid (PubChem CID 83979929) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
PubChem CID83979929
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(OC)c(C(C(=O)O)N2CCNCC2C)cc1OC
InChIInChI=1S/C16H24N2O5/c1-10-9-17-5-6-18(10)15(16(19)20)11-7-13(22-3)14(23-4)8-12(11)21-2/h7-8,10,15,17H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyUVCQVNVXPLSVKX-UHFFFAOYSA-N
XLogP1.13
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43803535
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)acetic acid
CID 83978214
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
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-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid (CID 83979929) is 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid is COc1cc(OC)c(C(C(=O)O)N2CCNCC2C)cc1OC.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is UVCQVNVXPLSVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10-9-17-5-6-18(10)15(16(19)20)11-7-13(22-3)14(23-4)8-12(11)21-2/h7-8,10,15,17H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid?
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 324.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 83979929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).