methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate

C17H23FN2O3 — CID 51107085

IUPACmethyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C17H23FN2O3/c1-12(21)19-11-13-7-9-20(10-8-13)16(17(22)23-2)14-3-5-15(18)6-4-14/h3-6,13,16H,7-11H2,1-2H3,(H,19,21)
InChIKeyIFPCOSHCGNSNDK-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate

methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate (PubChem CID 51107085) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate
PubChem CID51107085
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Namemethyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C17H23FN2O3/c1-12(21)19-11-13-7-9-20(10-8-13)16(17(22)23-2)14-3-5-15(18)6-4-14/h3-6,13,16H,7-11H2,1-2H3,(H,19,21)
InChIKeyIFPCOSHCGNSNDK-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate (CID 51107085) is methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate is COC(=O)C(c1ccc(F)cc1)N1CCC(CNC(C)=O)CC1.
What is the InChIKey of methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate?
The InChIKey is IFPCOSHCGNSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(21)19-11-13-7-9-20(10-8-13)16(17(22)23-2)14-3-5-15(18)6-4-14/h3-6,13,16H,7-11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate?
methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate has a molecular weight of 322.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(acetamidomethyl)piperidin-1-yl]-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 51107085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).