ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate

C14H27N3O2 — CID 65422517

IUPACethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1(N2CCN(C)CC2)CCN(C)C1
InChIInChI=1S/C14H27N3O2/c1-4-19-13(18)11-14(5-6-16(3)12-14)17-9-7-15(2)8-10-17/h4-12H2,1-3H3
InChIKeyZIMBFLDTEJLRKM-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.26
Rot. Bonds4

About ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate

ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate (PubChem CID 65422517) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
PubChem CID65422517
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nameethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
SMILESCCOC(=O)CC1(N2CCN(C)CC2)CCN(C)C1
InChIInChI=1S/C14H27N3O2/c1-4-19-13(18)11-14(5-6-16(3)12-14)17-9-7-15(2)8-10-17/h4-12H2,1-3H3
InChIKeyZIMBFLDTEJLRKM-UHFFFAOYSA-N
XLogP0.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
ethyl 2-[3-(4-methylpiperazin-1-yl)-1,1-dioxothian-3-yl]acetate
CID 65420784
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-[4-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135859
ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421000
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-[2-methyl-3-(4-methylpiperazin-1-yl)thian-3-yl]acetate
CID 79951486
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345
ethyl 2-(3-pyrrolidin-1-ylthiolan-3-yl)acetate
CID 64529167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate (CID 65422517) is ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate is CCOC(=O)CC1(N2CCN(C)CC2)CCN(C)C1.
What is the InChIKey of ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate?
The InChIKey is ZIMBFLDTEJLRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-19-13(18)11-14(5-6-16(3)12-14)17-9-7-15(2)8-10-17/h4-12H2,1-3H3.
What are the key properties of ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate?
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate has a molecular weight of 269.39 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 65422517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).