ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate

C24H34N2O6 — CID 55734937

IUPACethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)CC1
InChIInChI=1S/C24H34N2O6/c1-4-30-23(28)21-9-11-26(12-10-21)22(27)16-31-24(29)20-7-5-19(6-8-20)15-25-13-17(2)32-18(3)14-25/h5-8,17-18,21H,4,9-16H2,1-3H3
InChIKeyGFCLBEOASRFVMJ-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.25
Rot. Bonds7

About ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 55734937) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID55734937
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Nameethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)CC1
InChIInChI=1S/C24H34N2O6/c1-4-30-23(28)21-9-11-26(12-10-21)22(27)16-31-24(29)20-7-5-19(6-8-20)15-25-13-17(2)32-18(3)14-25/h5-8,17-18,21H,4,9-16H2,1-3H3
InChIKeyGFCLBEOASRFVMJ-UHFFFAOYSA-N
XLogP2.25
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]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

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994294
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
ethyl 1-[2-(3-bromobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 2346503
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55737534
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994942
ethyl 1-[2-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 4147904
ethyl 1-[2-(1,5-dimethylpyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55449417
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
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-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate (CID 55734937) is ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is GFCLBEOASRFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-4-30-23(28)21-9-11-26(12-10-21)22(27)16-31-24(29)20-7-5-19(6-8-20)15-25-13-17(2)32-18(3)14-25/h5-8,17-18,21H,4,9-16H2,1-3H3.
What are the key properties of ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 446.54 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55734937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).