[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate

C28H35N3O5 — CID 55994294

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCC1CN(Cc2ccc(C(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC(C)O1
InChIInChI=1S/C28H35N3O5/c1-20-16-30(17-21(2)36-20)18-22-8-10-24(11-9-22)28(34)35-19-26(32)31-14-12-23(13-15-31)27(33)29-25-6-4-3-5-7-25/h3-11,20-21,23H,12-19H2,1-2H3,(H,29,33)
InChIKeyCZZTWDSTLBTQPX-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.33
Rot. Bonds7

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (PubChem CID 55994294) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
PubChem CID55994294
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCC1CN(Cc2ccc(C(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC(C)O1
InChIInChI=1S/C28H35N3O5/c1-20-16-30(17-21(2)36-20)18-22-8-10-24(11-9-22)28(34)35-19-26(32)31-14-12-23(13-15-31)27(33)29-25-6-4-3-5-7-25/h3-11,20-21,23H,12-19H2,1-2H3,(H,29,33)
InChIKeyCZZTWDSTLBTQPX-UHFFFAOYSA-N
XLogP3.33
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate with MolForge

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Related Compounds

ethyl 1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55734937
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 41472626
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55737534
[2-oxo-2-(1-phenylbutylamino)ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995069
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
[2-(azocan-1-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 35236311
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994942

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (CID 55994294) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is CC1CN(Cc2ccc(C(=O)OCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC(C)O1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The InChIKey is CZZTWDSTLBTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-20-16-30(17-21(2)36-20)18-22-8-10-24(11-9-22)28(34)35-19-26(32)31-14-12-23(13-15-31)27(33)29-25-6-4-3-5-7-25/h3-11,20-21,23H,12-19H2,1-2H3,(H,29,33).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate has a molecular weight of 493.60 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 55994294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).