ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate

C21H29N3O6 — CID 46641189

IUPACethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NC(=O)NC(C)C)CC1
InChIInChI=1S/C21H29N3O6/c1-4-29-19(26)15-9-11-24(12-10-15)18(25)13-30-20(27)16-7-5-6-8-17(16)23-21(28)22-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H2,22,23,28)
InChIKeyIGDJELRXIYEMHJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.17
Rot. Bonds7

About ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 46641189) has the molecular formula C21H29N3O6 and a molecular weight of 419.48 g/mol. Its IUPAC name is ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID46641189
Molecular FormulaC21H29N3O6
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC Nameethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NC(=O)NC(C)C)CC1
InChIInChI=1S/C21H29N3O6/c1-4-29-19(26)15-9-11-24(12-10-15)18(25)13-30-20(27)16-7-5-6-8-17(16)23-21(28)22-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H2,22,23,28)
InChIKeyIGDJELRXIYEMHJ-UHFFFAOYSA-N
XLogP2.17
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate 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

ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 7740885
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46561441
ethyl 1-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55306358
ethyl 1-[2-(2-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 9454739
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
ethyl 1-[2-(1-hydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7891146
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
(3,3-dimethyl-2-oxobutyl) 2-(propan-2-ylcarbamoylamino)benzoate
CID 17470932
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610260
ethyl 1-[2-(5-chloro-2-hydroxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 8604247

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate (CID 46641189) is ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NC(=O)NC(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is IGDJELRXIYEMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6/c1-4-29-19(26)15-9-11-24(12-10-15)18(25)13-30-20(27)16-7-5-6-8-17(16)23-21(28)22-14(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H2,22,23,28).
What are the key properties of ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 46641189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).