4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 114390795

IUPAC4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N2CCNCC2)C1
InChIInChI=1S/C12H20N2O3/c1-8-6-9(10(7-8)12(16)17)11(15)14-4-2-13-3-5-14/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyVRSXVMJVOVXMAJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.17
Rot. Bonds2

About 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid

4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114390795) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114390795
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N2CCNCC2)C1
InChIInChI=1S/C12H20N2O3/c1-8-6-9(10(7-8)12(16)17)11(15)14-4-2-13-3-5-14/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyVRSXVMJVOVXMAJ-UHFFFAOYSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
(1S,6R)-6-(piperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 34173784
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390717
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60953640
2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 102956696

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114390795) is 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)N2CCNCC2)C1.
What is the InChIKey of 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is VRSXVMJVOVXMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-6-9(10(7-8)12(16)17)11(15)14-4-2-13-3-5-14/h8-10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).