butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate

C24H28N2O5 — CID 17096909

IUPACbutan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
SMILESCCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H28N2O5/c1-3-17(2)31-23(28)15-21-24(29)25-13-14-26(21)22(27)16-30-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,29)
InChIKeyDMQDBQDDFAWXHD-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.79
Rot. Bonds8

About butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate

butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate (PubChem CID 17096909) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namebutan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
PubChem CID17096909
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namebutan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
SMILESCCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H28N2O5/c1-3-17(2)31-23(28)15-21-24(29)25-13-14-26(21)22(27)16-30-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,29)
InChIKeyDMQDBQDDFAWXHD-UHFFFAOYSA-N
XLogP2.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate with MolForge

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Related Compounds

butan-2-yl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17096888
butan-2-yl 2-[1-(4-chlorobutanoyl)-3-oxopiperazin-2-yl]acetate
CID 54792713
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
2-phenoxyethyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093272
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
CID 54789692
butan-2-yl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 17097114
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17096892
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
3-methylbutyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17079734
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
3-methylbutyl 2-[1-(2-naphthalen-2-yloxyacetyl)-3-oxopiperazin-2-yl]acetate
CID 17079709

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate?
The IUPAC name of butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate (CID 17096909) is butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate.
What is the SMILES notation for butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate?
The canonical SMILES for butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate is CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate?
The InChIKey is DMQDBQDDFAWXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-3-17(2)31-23(28)15-21-24(29)25-13-14-26(21)22(27)16-30-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,29).
What are the key properties of butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate?
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate has a molecular weight of 424.50 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate is sourced from PubChem (CID 17096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).