cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

C24H34N2O5 — CID 4945035

IUPACcyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)C2CC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C24H34N2O5/c1-24(2,3)17-9-11-18(12-10-17)30-16-21(27)26-14-13-25-23(29)20(26)15-22(28)31-19-7-5-4-6-8-19/h9-12,19-20H,4-8,13-16H2,1-3H3,(H,25,29)
InChIKeyQMUMUTDYBRBPPO-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.96
Rot. Bonds6

About cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 4945035) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID4945035
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Namecyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)C2CC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C24H34N2O5/c1-24(2,3)17-9-11-18(12-10-17)30-16-21(27)26-14-13-25-23(29)20(26)15-22(28)31-19-7-5-4-6-8-19/h9-12,19-20H,4-8,13-16H2,1-3H3,(H,25,29)
InChIKeyQMUMUTDYBRBPPO-UHFFFAOYSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
2-phenoxyethyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093272
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
cyclohexyl 2-[1-[(4-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4934173
cyclohexyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 4935904
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
2-phenoxyethyl 2-[1-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17350155
3-methylbutyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17079734
dodecyl 2-[1-[2-(2,4-ditert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086462
benzyl 2-[1-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17350142
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (CID 4945035) is cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is CC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)C2CC(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is QMUMUTDYBRBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-24(2,3)17-9-11-18(12-10-17)30-16-21(27)26-14-13-25-23(29)20(26)15-22(28)31-19-7-5-4-6-8-19/h9-12,19-20H,4-8,13-16H2,1-3H3,(H,25,29).
What are the key properties of cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 430.55 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 4945035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).