2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C13H24N2O2 — CID 114540602

IUPAC2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C2CCCC2C(=O)O)CC(C)N1C
InChIInChI=1S/C13H24N2O2/c1-9-7-15(8-10(2)14(9)3)12-6-4-5-11(12)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyHNNSVYQRHHXRTD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.26
Rot. Bonds2

About 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid

2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 114540602) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID114540602
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C2CCCC2C(=O)O)CC(C)N1C
InChIInChI=1S/C13H24N2O2/c1-9-7-15(8-10(2)14(9)3)12-6-4-5-11(12)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyHNNSVYQRHHXRTD-UHFFFAOYSA-N
XLogP1.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63069445
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81206109
2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63619710
2-(3-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821308
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
2-(2,5-dimethylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 140693285
2-(2-azaspiro[3.4]octan-2-yl)cyclopentane-1-carboxylic acid
CID 79695007
2-(3,3-dimethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695533
2-(2,2,6,6-tetramethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
CID 102746280
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 114540602) is 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CC1CN(C2CCCC2C(=O)O)CC(C)N1C.
What is the InChIKey of 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is HNNSVYQRHHXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-7-15(8-10(2)14(9)3)12-6-4-5-11(12)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114540602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).