N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide

C13H17ClFN3O2 — CID 146457725

IUPACN-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H17ClFN3O2/c14-11-2-1-10(7-12(11)15)20-8-13(19)17-18-5-3-9(16)4-6-18/h1-2,7,9H,3-6,8,16H2,(H,17,19)
InChIKeyHHPCGHMGFOEVGS-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.31
Rot. Bonds4

About N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide

N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide (PubChem CID 146457725) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
PubChem CID146457725
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC NameN-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C13H17ClFN3O2/c14-11-2-1-10(7-12(11)15)20-8-13(19)17-18-5-3-9(16)4-6-18/h1-2,7,9H,3-6,8,16H2,(H,17,19)
InChIKeyHHPCGHMGFOEVGS-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
CID 175222959
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-[(2R)-3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 146457928
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 165399670
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
[1-[(4-aminopiperidin-1-yl)amino]-3-(4-chloro-3-fluorophenoxy)propan-2-yl] 2,2,2-trifluoroacetate
CID 146457964
2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
CID 155069111
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
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
[(4-aminocyclohexyl)-[2-(4-chloro-3-fluorophenoxy)acetyl]amino] 2,2,2-trifluoroacetate
CID 156689163
(1S,5R)-6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166681175

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The IUPAC name of N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide (CID 146457725) is N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide is NC1CCN(NC(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The InChIKey is HHPCGHMGFOEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O2/c14-11-2-1-10(7-12(11)15)20-8-13(19)17-18-5-3-9(16)4-6-18/h1-2,7,9H,3-6,8,16H2,(H,17,19).
What are the key properties of N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide?
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide has a molecular weight of 301.75 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide is sourced from PubChem (CID 146457725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).