3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid

C13H25N3O2 — CID 79649771

IUPAC3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-3-15-6-8-16(9-7-15)11-4-5-13(10-11,14-2)12(17)18/h11,14H,3-10H2,1-2H3,(H,17,18)
InChIKeyCKDCSAGNQUNMRA-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.22
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid

3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79649771) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79649771
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-3-15-6-8-16(9-7-15)11-4-5-13(10-11,14-2)12(17)18/h11,14H,3-10H2,1-2H3,(H,17,18)
InChIKeyCKDCSAGNQUNMRA-UHFFFAOYSA-N
XLogP0.22
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79649771) is 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid is CCN1CCN(C2CCC(NC)(C(=O)O)C2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CKDCSAGNQUNMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-15-6-8-16(9-7-15)11-4-5-13(10-11,14-2)12(17)18/h11,14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid?
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).