methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate

C17H24N2O4 — CID 47059933

IUPACmethyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H24N2O4/c1-12-8-13(2)10-19(9-12)16(20)11-23-15-6-4-14(5-7-15)18-17(21)22-3/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)
InChIKeyWZRDRFYJLSNPIZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.75
Rot. Bonds4

About methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate

methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate (PubChem CID 47059933) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate
PubChem CID47059933
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H24N2O4/c1-12-8-13(2)10-19(9-12)16(20)11-23-15-6-4-14(5-7-15)18-17(21)22-3/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)
InChIKeyWZRDRFYJLSNPIZ-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646557
methyl 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 112786430
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 7839656
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62029121

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate (CID 47059933) is methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCC(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is WZRDRFYJLSNPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-8-13(2)10-19(9-12)16(20)11-23-15-6-4-14(5-7-15)18-17(21)22-3/h4-7,12-13H,8-11H2,1-3H3,(H,18,21).
What are the key properties of methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate?
methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 47059933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).