3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C14H22N2O4 — CID 103550936

IUPAC3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2CCC(C(=O)O)C2)C(C)(C)C1=O
InChIInChI=1S/C14H22N2O4/c1-14(2)13(20)15(3)6-7-16(14)11(17)9-4-5-10(8-9)12(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyVDNFBJWTNDJZRG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.57
Rot. Bonds2

About 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103550936) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103550936
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2CCC(C(=O)O)C2)C(C)(C)C1=O
InChIInChI=1S/C14H22N2O4/c1-14(2)13(20)15(3)6-7-16(14)11(17)9-4-5-10(8-9)12(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyVDNFBJWTNDJZRG-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 136564463
4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one
CID 102893373
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550019
4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 64694555
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
2,2,4-trimethyl-3-oxo-N-phenylpiperazine-1-carbothioamide
CID 115687514
4-(3,4-dihydroxybenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 103957472
2,2-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)pyrrolidin-3-one
CID 115275141

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103550936) is 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is CN1CCN(C(=O)C2CCC(C(=O)O)C2)C(C)(C)C1=O.
What is the InChIKey of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is VDNFBJWTNDJZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2)13(20)15(3)6-7-16(14)11(17)9-4-5-10(8-9)12(18)19/h9-10H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).