2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid

C18H28N2O6 — CID 17096882

IUPAC2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H28N2O6/c1-3-11(2)26-15(21)10-14-16(22)19-8-9-20(14)17(23)12-6-4-5-7-13(12)18(24)25/h11-14H,3-10H2,1-2H3,(H,19,22)(H,24,25)
InChIKeyDTTOEJCMMLEONW-UHFFFAOYSA-N
MW368.43 g/mol
LogP0.94
Rot. Bonds6

About 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid

2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 17096882) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID17096882
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H28N2O6/c1-3-11(2)26-15(21)10-14-16(22)19-8-9-20(14)17(23)12-6-4-5-7-13(12)18(24)25/h11-14H,3-10H2,1-2H3,(H,19,22)(H,24,25)
InChIKeyDTTOEJCMMLEONW-UHFFFAOYSA-N
XLogP0.94
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yl 2-[1-(4-chlorobutanoyl)-3-oxopiperazin-2-yl]acetate
CID 54792713
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
CID 54789692
butan-2-yl 2-[1-(cyclopropanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 17097118
butan-2-yl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 17097114
butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17096892
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909
butan-2-yl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17096908
butan-2-yl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17096888
butan-2-yl 2-[1-[2-(2-nitrophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17096928
decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
CID 17093877
butan-2-yl 2-[1-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 54782463
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 17096882) is 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid is CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is DTTOEJCMMLEONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-3-11(2)26-15(21)10-14-16(22)19-8-9-20(14)17(23)12-6-4-5-7-13(12)18(24)25/h11-14H,3-10H2,1-2H3,(H,19,22)(H,24,25).
What are the key properties of 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid?
2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17096882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).