4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 114511814

IUPAC4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-5-11-8-12(13(9-11)15(20)21)14(19)18-7-6-17(4)16(2,3)10-18/h11-13H,5-10H2,1-4H3,(H,20,21)
InChIKeyZOVHOXNILGNPEP-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.68
Rot. Bonds3

About 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114511814) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114511814
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-5-11-8-12(13(9-11)15(20)21)14(19)18-7-6-17(4)16(2,3)10-18/h11-13H,5-10H2,1-4H3,(H,20,21)
InChIKeyZOVHOXNILGNPEP-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511249
4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511446
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 64592806
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 107214527
1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 63614384
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
4-ethyl-2-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511445

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114511814) is 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N2CCN(C)C(C)(C)C2)C1.
What is the InChIKey of 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZOVHOXNILGNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-11-8-12(13(9-11)15(20)21)14(19)18-7-6-17(4)16(2,3)10-18/h11-13H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).