[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate

C23H26ClNO4 — CID 7853325

IUPAC[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClNO4/c1-16-11-17(2)13-25(12-16)22(26)15-29-23(27)20-5-3-4-6-21(20)28-14-18-7-9-19(24)10-8-18/h3-10,16-17H,11-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyHZOJGSJEXUASLC-IAGOWNOFSA-N
MW415.92 g/mol
LogP4.58
Rot. Bonds6

About [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate

[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 7853325) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
PubChem CID7853325
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClNO4/c1-16-11-17(2)13-25(12-16)22(26)15-29-23(27)20-5-3-4-6-21(20)28-14-18-7-9-19(24)10-8-18/h3-10,16-17H,11-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyHZOJGSJEXUASLC-IAGOWNOFSA-N
XLogP4.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate with MolForge

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Related Compounds

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366007
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2100040
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470676
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7853291
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 26058523
ethyl 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate
CID 22264628
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515943

Frequently Asked Questions

What is the IUPAC name of [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate (CID 7853325) is [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate is C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)C1.
What is the InChIKey of [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is HZOJGSJEXUASLC-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-16-11-17(2)13-25(12-16)22(26)15-29-23(27)20-5-3-4-6-21(20)28-14-18-7-9-19(24)10-8-18/h3-10,16-17H,11-15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 415.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 7853325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).