[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate

C15H19ClFN3O4 — CID 175222959

IUPAC[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C15H19ClFN3O4/c16-12-2-1-11(7-13(12)17)23-9-14(21)19-20-5-3-10(4-6-20)8-24-15(18)22/h1-2,7,10H,3-6,8-9H2,(H2,18,22)(H,19,21)
InChIKeySYVICOSFUAFJFL-UHFFFAOYSA-N
MW359.79 g/mol
LogP1.70
Rot. Bonds6

About [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate

[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate (PubChem CID 175222959) has the molecular formula C15H19ClFN3O4 and a molecular weight of 359.79 g/mol. Its IUPAC name is [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
PubChem CID175222959
Molecular FormulaC15H19ClFN3O4
Molecular Weight359.79 g/mol
Exact Mass359.10
IUPAC Name[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C15H19ClFN3O4/c16-12-2-1-11(7-13(12)17)23-9-14(21)19-20-5-3-10(4-6-20)8-24-15(18)22/h1-2,7,10H,3-6,8-9H2,(H2,18,22)(H,19,21)
InChIKeySYVICOSFUAFJFL-UHFFFAOYSA-N
XLogP1.70
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
2-chloro-5-[2-[[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]amino]-2-oxoethoxy]-N-hydroxybenzeneamine oxide
CID 163994338
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 165399670
2-(4-chloro-3-fluorophenoxy)-N-[4-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
[1-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]pyrrolidin-3-yl]methyl carbamate
CID 175195941
2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
CID 155069111
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
2-(4-chloro-3-fluorophenoxy)-N-[1-[[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-4-yl]acetamide
CID 146458131
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
tert-butyl 3-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]pyrrolidine-1-carboxylate
CID 155069109
(1S,5R)-6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166681175
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate (CID 175222959) is [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate is NC(=O)OCC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate?
The InChIKey is SYVICOSFUAFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O4/c16-12-2-1-11(7-13(12)17)23-9-14(21)19-20-5-3-10(4-6-20)8-24-15(18)22/h1-2,7,10H,3-6,8-9H2,(H2,18,22)(H,19,21).
What are the key properties of [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate?
[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate has a molecular weight of 359.79 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175222959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).