2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 79564582

IUPAC2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCN1CCC(OC)CC1
InChIInChI=1S/C15H28N2O3/c1-16-15(14(18)19)8-3-4-12(15)5-9-17-10-6-13(20-2)7-11-17/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyOCNZGTXDMVBFPS-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79564582) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79564582
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC1CCN1CCC(OC)CC1
InChIInChI=1S/C15H28N2O3/c1-16-15(14(18)19)8-3-4-12(15)5-9-17-10-6-13(20-2)7-11-17/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyOCNZGTXDMVBFPS-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79564582) is 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCCC1CCN1CCC(OC)CC1.
What is the InChIKey of 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OCNZGTXDMVBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-16-15(14(18)19)8-3-4-12(15)5-9-17-10-6-13(20-2)7-11-17/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxypiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79564582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).