methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate

C17H22FNO4 — CID 67514118

IUPACmethyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C(Cc2cccc(F)c2)C(=O)OC)NC1
InChIInChI=1S/C17H22FNO4/c1-22-16(20)12-6-7-15(19-10-12)14(17(21)23-2)9-11-4-3-5-13(18)8-11/h3-5,8,12,14-15,19H,6-7,9-10H2,1-2H3
InChIKeyVNKYPECGSLGTIY-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.70
Rot. Bonds5

About methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate

methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate (PubChem CID 67514118) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate
PubChem CID67514118
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Namemethyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C(Cc2cccc(F)c2)C(=O)OC)NC1
InChIInChI=1S/C17H22FNO4/c1-22-16(20)12-6-7-15(19-10-12)14(17(21)23-2)9-11-4-3-5-13(18)8-11/h3-5,8,12,14-15,19H,6-7,9-10H2,1-2H3
InChIKeyVNKYPECGSLGTIY-UHFFFAOYSA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate (CID 67514118) is methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate is COC(=O)C1CCC(C(Cc2cccc(F)c2)C(=O)OC)NC1.
What is the InChIKey of methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate?
The InChIKey is VNKYPECGSLGTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-22-16(20)12-6-7-15(19-10-12)14(17(21)23-2)9-11-4-3-5-13(18)8-11/h3-5,8,12,14-15,19H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate?
methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate has a molecular weight of 323.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 67514118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).