cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate

C22H29BrN2O5 — CID 42427093

IUPACcyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCOc1ccc(Br)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1
InChIInChI=1S/C22H29BrN2O5/c1-2-12-29-19-9-8-15(23)13-17(19)22(28)25-11-10-24-21(27)18(25)14-20(26)30-16-6-4-3-5-7-16/h8-9,13,16,18H,2-7,10-12,14H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyFJBIWKGTGFRZDM-GOSISDBHSA-N
MW481.39 g/mol
LogP3.44
Rot. Bonds7

About cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate

cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 42427093) has the molecular formula C22H29BrN2O5 and a molecular weight of 481.39 g/mol. Its IUPAC name is cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID42427093
Molecular FormulaC22H29BrN2O5
Molecular Weight481.39 g/mol
Exact Mass480.13
IUPAC Namecyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCOc1ccc(Br)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1
InChIInChI=1S/C22H29BrN2O5/c1-2-12-29-19-9-8-15(23)13-17(19)22(28)25-11-10-24-21(27)18(25)14-20(26)30-16-6-4-3-5-7-16/h8-9,13,16,18H,2-7,10-12,14H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyFJBIWKGTGFRZDM-GOSISDBHSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate 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

decyl 2-[1-(5-bromo-2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093976
2-phenoxyethyl 2-[1-(5-bromo-2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17343427
3-phenylpropyl 2-[1-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17357291
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
cyclohexyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 4935904
cyclohexyl 2-[1-[(4-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4934173
decyl 2-[1-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17094191
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
cyclohexyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 9293218
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
cyclohexyl 2-[(2R)-1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 9293213

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate (CID 42427093) is cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate is CCCOc1ccc(Br)cc1C(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is FJBIWKGTGFRZDM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29BrN2O5/c1-2-12-29-19-9-8-15(23)13-17(19)22(28)25-11-10-24-21(27)18(25)14-20(26)30-16-6-4-3-5-7-16/h8-9,13,16,18H,2-7,10-12,14H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 481.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 42427093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).