methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate

C15H19FN2O4 — CID 110822979

IUPACmethyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O4/c1-21-15(20)17-12-6-8-18(9-7-12)14(19)10-22-13-4-2-11(16)3-5-13/h2-5,12H,6-10H2,1H3,(H,17,20)
InChIKeyWKUQZLWNJMNXFX-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.55
Rot. Bonds4

About methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate

methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 110822979) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID110822979
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Namemethyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O4/c1-21-15(20)17-12-6-8-18(9-7-12)14(19)10-22-13-4-2-11(16)3-5-13/h2-5,12H,6-10H2,1H3,(H,17,20)
InChIKeyWKUQZLWNJMNXFX-UHFFFAOYSA-N
XLogP1.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548756
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548748
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate (CID 110822979) is methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is WKUQZLWNJMNXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-21-15(20)17-12-6-8-18(9-7-12)14(19)10-22-13-4-2-11(16)3-5-13/h2-5,12H,6-10H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate?
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 310.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 110822979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).