ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate

C19H25N3O6 — CID 9363783

IUPACethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C19H25N3O6/c1-3-27-19(26)22-9-7-21(8-10-22)16(23)13-28-17(24)12-20-18(25)15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,25)
InChIKeySHTICMKFSOKMFJ-UHFFFAOYSA-N
MW391.42 g/mol
LogP0.57
Rot. Bonds6

About ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate (PubChem CID 9363783) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
PubChem CID9363783
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Nameethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C19H25N3O6/c1-3-27-19(26)22-9-7-21(8-10-22)16(23)13-28-17(24)12-20-18(25)15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,25)
InChIKeySHTICMKFSOKMFJ-UHFFFAOYSA-N
XLogP0.57
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[2-[(4-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 9114290
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364143
ethyl 4-[2-[2-[(4-bromobenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 29461635
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 27999707
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
methyl 1-[2-[2-[(3-bromobenzoyl)amino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 46791831

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate (CID 9363783) is ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
The InChIKey is SHTICMKFSOKMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-3-27-19(26)22-9-7-21(8-10-22)16(23)13-28-17(24)12-20-18(25)15-6-4-5-14(2)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,25).
What are the key properties of ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 9363783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).