2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C13H24N2O2 — CID 63619710

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CN(C2CCCC2C(=O)O)CCN1C
InChIInChI=1S/C13H24N2O2/c1-3-10-9-15(8-7-14(10)2)12-6-4-5-11(12)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyAIQLMQWGWNDPGI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.27
Rot. Bonds3

About 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid

2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 63619710) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID63619710
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCC1CN(C2CCCC2C(=O)O)CCN1C
InChIInChI=1S/C13H24N2O2/c1-3-10-9-15(8-7-14(10)2)12-6-4-5-11(12)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyAIQLMQWGWNDPGI-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 63619710) is 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CCC1CN(C2CCCC2C(=O)O)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is AIQLMQWGWNDPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-10-9-15(8-7-14(10)2)12-6-4-5-11(12)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63619710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).