[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate

C23H25NO4 — CID 7203935

IUPAC[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
SMILESCC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25NO4/c1-2-20-10-6-7-15-24(20)21(25)16-28-23(27)19-13-11-18(12-14-19)22(26)17-8-4-3-5-9-17/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3/t20-/m1/s1
InChIKeyHARAEIGBDPCATN-HXUWFJFHSA-N
MW379.46 g/mol
LogP3.87
Rot. Bonds6

About [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 7203935) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
PubChem CID7203935
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
SMILESCC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H25NO4/c1-2-20-10-6-7-15-24(20)21(25)16-28-23(27)19-13-11-18(12-14-19)22(26)17-8-4-3-5-9-17/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3/t20-/m1/s1
InChIKeyHARAEIGBDPCATN-HXUWFJFHSA-N
XLogP3.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133637
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204309
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500791
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7291203
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18080459
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate
CID 7837596
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557219
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292106
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304080

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate (CID 7203935) is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate is CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is HARAEIGBDPCATN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-20-10-6-7-15-24(20)21(25)16-28-23(27)19-13-11-18(12-14-19)22(26)17-8-4-3-5-9-17/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3/t20-/m1/s1.
What are the key properties of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 379.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 7203935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).