ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

C16H31N3O2 — CID 58135874

IUPACethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)(C)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-5-21-15(20)16(2,3)19-8-6-14(7-9-19)18-12-10-17(4)11-13-18/h14H,5-13H2,1-4H3
InChIKeyQGMNBYDEUAFAIC-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.04
Rot. Bonds4

About ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate

ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (PubChem CID 58135874) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
PubChem CID58135874
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nameethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)(C)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-5-21-15(20)16(2,3)19-8-6-14(7-9-19)18-12-10-17(4)11-13-18/h14H,5-13H2,1-4H3
InChIKeyQGMNBYDEUAFAIC-UHFFFAOYSA-N
XLogP1.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135902
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
tert-butyl 2-[4-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 58235996
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
ethyl 2-(4-cyclopropylpiperazin-1-yl)-2-oxoacetate
CID 61443814
diethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]propanedioate
CID 10496536
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91082020
4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
CID 168873592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (CID 58135874) is ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is CCOC(=O)C(C)(C)N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The InChIKey is QGMNBYDEUAFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-21-15(20)16(2,3)19-8-6-14(7-9-19)18-12-10-17(4)11-13-18/h14H,5-13H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate has a molecular weight of 297.44 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is sourced from PubChem (CID 58135874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).