[2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate

C23H27NO3 — CID 46086902

IUPAC[2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-18(25)27-22(21-10-6-3-7-11-21)23(26)24-16-14-20(15-17-24)13-12-19-8-4-2-5-9-19/h2-11,20,22H,12-17H2,1H3
InChIKeyFSUGDDQCMUIXBT-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.16
Rot. Bonds6

About [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate

[2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate (PubChem CID 46086902) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate
PubChem CID46086902
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-18(25)27-22(21-10-6-3-7-11-21)23(26)24-16-14-20(15-17-24)13-12-19-8-4-2-5-9-19/h2-11,20,22H,12-17H2,1H3
InChIKeyFSUGDDQCMUIXBT-UHFFFAOYSA-N
XLogP4.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate?
The IUPAC name of [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate (CID 46086902) is [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate.
What is the SMILES notation for [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate?
The canonical SMILES for [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate is CC(=O)OC(C(=O)N1CCC(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate?
The InChIKey is FSUGDDQCMUIXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-18(25)27-22(21-10-6-3-7-11-21)23(26)24-16-14-20(15-17-24)13-12-19-8-4-2-5-9-19/h2-11,20,22H,12-17H2,1H3.
What are the key properties of [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate?
[2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate has a molecular weight of 365.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl] acetate is sourced from PubChem (CID 46086902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).