methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate

C14H29N3O3 — CID 82892050

IUPACmethyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)CCN1CCN(C)CC1
InChIInChI=1S/C14H29N3O3/c1-15-6-8-17(9-7-15)11-10-16(12-13-19-2)5-4-14(18)20-3/h4-13H2,1-3H3
InChIKeyANYDEGZBUVCQOP-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.25
Rot. Bonds9

About methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate

methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate (PubChem CID 82892050) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
PubChem CID82892050
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Namemethyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)CCN1CCN(C)CC1
InChIInChI=1S/C14H29N3O3/c1-15-6-8-17(9-7-15)11-10-16(12-13-19-2)5-4-14(18)20-3/h4-13H2,1-3H3
InChIKeyANYDEGZBUVCQOP-UHFFFAOYSA-N
XLogP-0.25
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]propanoate
CID 169448717
methyl 3-[2-[4-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl]piperazin-1-yl]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 90207701
2-methoxyethyl 3-[[3-[2-[2-[2-[2-[3-[[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoate
CID 176880627
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 3-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207643
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-[4-[3-[3-[3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]-2-hydroxypropoxy]-2,2-bis[[3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]piperazin-1-yl]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59029982

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate (CID 82892050) is methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate is COCCN(CCC(=O)OC)CCN1CCN(C)CC1.
What is the InChIKey of methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate?
The InChIKey is ANYDEGZBUVCQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-15-6-8-17(9-7-15)11-10-16(12-13-19-2)5-4-14(18)20-3/h4-13H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate has a molecular weight of 287.40 g/mol, XLogP of -0.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate is sourced from PubChem (CID 82892050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).