3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide

C23H28N2O3 — CID 24790612

IUPAC3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCOC(C(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-28-22(19-8-4-2-5-9-19)23(27)25-16-14-18(15-17-25)12-13-21(26)24-20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3,(H,24,26)
InChIKeyYKFOKZOILUSDRL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.03
Rot. Bonds7

About 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide

3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 24790612) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID24790612
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCOC(C(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-28-22(19-8-4-2-5-9-19)23(27)25-16-14-18(15-17-25)12-13-21(26)24-20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3,(H,24,26)
InChIKeyYKFOKZOILUSDRL-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide (CID 24790612) is 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide is COC(C(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is YKFOKZOILUSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-28-22(19-8-4-2-5-9-19)23(27)25-16-14-18(15-17-25)12-13-21(26)24-20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3,(H,24,26).
What are the key properties of 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide?
3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 24790612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).