[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate

C18H23N3O5 — CID 25161945

IUPAC[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H23N3O5/c1-13-3-5-15(6-4-13)18(25)19-11-17(24)26-12-16(23)21-9-7-20(8-10-21)14(2)22/h3-6H,7-12H2,1-2H3,(H,19,25)
InChIKeyHPXOTTYJRLIRGR-UHFFFAOYSA-N
MW361.40 g/mol
LogP-0.04
Rot. Bonds5

About [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 25161945) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
PubChem CID25161945
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H23N3O5/c1-13-3-5-15(6-4-13)18(25)19-11-17(24)26-12-16(23)21-9-7-20(8-10-21)14(2)22/h3-6H,7-12H2,1-2H3,(H,19,25)
InChIKeyHPXOTTYJRLIRGR-UHFFFAOYSA-N
XLogP-0.04
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-benzamido-3,3,3-trifluoro-2-morpholinopropionate
CID 389129
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
Methyl hippurate
CID 14566
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Ethyl Hippurate
CID 226558
3,4-Dimethyl-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 1105927
N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 570439
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
N-[1-(2-Morpholin-4-yl-ethylcarbamoyl)-2-phenyl-vinyl]-benzamide
CID 2873163
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2438194
[2-(Benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547368
Ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate (CID 25161945) is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate is CC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is HPXOTTYJRLIRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-13-3-5-15(6-4-13)18(25)19-11-17(24)26-12-16(23)21-9-7-20(8-10-21)14(2)22/h3-6H,7-12H2,1-2H3,(H,19,25).
What are the key properties of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 361.40 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 25161945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).