ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate

C15H28N2O2 — CID 55068243

IUPACethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)13(2)12-16-8-10-17(11-9-16)14-6-4-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyLXUWDQSTEKMSHC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds5

About ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate

ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate (PubChem CID 55068243) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
PubChem CID55068243
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)13(2)12-16-8-10-17(11-9-16)14-6-4-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyLXUWDQSTEKMSHC-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate (CID 55068243) is ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate is CCOC(=O)C(C)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate?
The InChIKey is LXUWDQSTEKMSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-15(18)13(2)12-16-8-10-17(11-9-16)14-6-4-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate?
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate has a molecular weight of 268.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 55068243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).