methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate

C15H23N3O3 — CID 82344743

IUPACmethyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
SMILESCOC(=O)C(NN1CCN(C)CC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23N3O3/c1-17-8-10-18(11-9-17)16-14(15(19)21-3)12-4-6-13(20-2)7-5-12/h4-7,14,16H,8-11H2,1-3H3
InChIKeyGZTCXCPHGUFYHY-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.66
Rot. Bonds5

About methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate

methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate (PubChem CID 82344743) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
PubChem CID82344743
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
SMILESCOC(=O)C(NN1CCN(C)CC1)c1ccc(OC)cc1
InChIInChI=1S/C15H23N3O3/c1-17-8-10-18(11-9-17)16-14(15(19)21-3)12-4-6-13(20-2)7-5-12/h4-7,14,16H,8-11H2,1-3H3
InChIKeyGZTCXCPHGUFYHY-UHFFFAOYSA-N
XLogP0.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205759
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
2-(4-methoxy-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]anilino)acetic acid
CID 25219972
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
N-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83021572
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate (CID 82344743) is methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate is COC(=O)C(NN1CCN(C)CC1)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate?
The InChIKey is GZTCXCPHGUFYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-8-10-18(11-9-17)16-14(15(19)21-3)12-4-6-13(20-2)7-5-12/h4-7,14,16H,8-11H2,1-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate?
methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate has a molecular weight of 293.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate is sourced from PubChem (CID 82344743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).