(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate

C21H24N2O4 — CID 24520609

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate
SMILESCC(=O)c1cc(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)n(C)c1
InChIInChI=1S/C21H24N2O4/c1-15(24)17-13-18(22(2)14-17)21(26)27-19(16-9-5-3-6-10-16)20(25)23-11-7-4-8-12-23/h3,5-6,9-10,13-14,19H,4,7-8,11-12H2,1-2H3
InChIKeyOMFJKLUMGIIXNX-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.14
Rot. Bonds5

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate (PubChem CID 24520609) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate
PubChem CID24520609
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate
SMILESCC(=O)c1cc(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)n(C)c1
InChIInChI=1S/C21H24N2O4/c1-15(24)17-13-18(22(2)14-17)21(26)27-19(16-9-5-3-6-10-16)20(25)23-11-7-4-8-12-23/h3,5-6,9-10,13-14,19H,4,7-8,11-12H2,1-2H3
InChIKeyOMFJKLUMGIIXNX-UHFFFAOYSA-N
XLogP3.14
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dimethylbenzoate
CID 7699703
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7715221
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate (CID 24520609) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate is CC(=O)c1cc(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)n(C)c1.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate?
The InChIKey is OMFJKLUMGIIXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(24)17-13-18(22(2)14-17)21(26)27-19(16-9-5-3-6-10-16)20(25)23-11-7-4-8-12-23/h3,5-6,9-10,13-14,19H,4,7-8,11-12H2,1-2H3.
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-acetyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 24520609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).