[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate

C15H19FN2O3 — CID 175555428

IUPAC[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c16-13-3-1-12(2-4-13)14(19)9-18-7-5-11(6-8-18)10-21-15(17)20/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyQCRYWQOOYIZPQK-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.82
Rot. Bonds5

About [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate

[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate (PubChem CID 175555428) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate
PubChem CID175555428
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c16-13-3-1-12(2-4-13)14(19)9-18-7-5-11(6-8-18)10-21-15(17)20/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyQCRYWQOOYIZPQK-UHFFFAOYSA-N
XLogP1.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
1-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3-[[4-(methoxymethyl)cyclohexyl]methyl]-1-methylurea;2,2,2-trifluoroacetic acid
CID 175555397
tert-butyl N-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771206
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174442393
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate (CID 175555428) is [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate is NC(=O)OCC1CCN(CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate?
The InChIKey is QCRYWQOOYIZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-3-1-12(2-4-13)14(19)9-18-7-5-11(6-8-18)10-21-15(17)20/h1-4,11H,5-10H2,(H2,17,20).
What are the key properties of [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate?
[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate has a molecular weight of 294.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175555428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).