methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate

C17H22FNO4 — CID 86977288

IUPACmethyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO4/c1-17(2,23-14-6-4-13(18)5-7-14)16(21)19-10-8-12(9-11-19)15(20)22-3/h4-7,12H,8-11H2,1-3H3
InChIKeyNUCITBWUHSTOIU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.39
Rot. Bonds4

About methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate

methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate (PubChem CID 86977288) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
PubChem CID86977288
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Namemethyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FNO4/c1-17(2,23-14-6-4-13(18)5-7-14)16(21)19-10-8-12(9-11-19)15(20)22-3/h4-7,12H,8-11H2,1-3H3
InChIKeyNUCITBWUHSTOIU-UHFFFAOYSA-N
XLogP2.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 112836380
N-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39511425
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
2-(4-fluorophenoxy)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997590
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
CID 78901290
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
1-[2-(4-fluorophenoxy)-2-methylpropanoyl]-1,4-diazepan-5-one
CID 62046418
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43403393
2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 38574818

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate (CID 86977288) is methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate?
The InChIKey is NUCITBWUHSTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-17(2,23-14-6-4-13(18)5-7-14)16(21)19-10-8-12(9-11-19)15(20)22-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate?
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate has a molecular weight of 323.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 86977288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).