2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide

C14H20FN3O2 — CID 107259017

IUPAC2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1cc(N2CCC(CC(N)=O)CC2)c(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-20-13-8-12(10(15)7-11(13)16)18-4-2-9(3-5-18)6-14(17)19/h7-9H,2-6,16H2,1H3,(H2,17,19)
InChIKeyDUWIDZMFMPGXBP-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide

2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide (PubChem CID 107259017) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
PubChem CID107259017
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1cc(N2CCC(CC(N)=O)CC2)c(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-20-13-8-12(10(15)7-11(13)16)18-4-2-9(3-5-18)6-14(17)19/h7-9H,2-6,16H2,1H3,(H2,17,19)
InChIKeyDUWIDZMFMPGXBP-UHFFFAOYSA-N
XLogP1.51
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
CID 107259299
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
CID 55215681
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
1-[4-(4-amino-2-fluoro-5-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 107259042
benzyl 4-[[4-(4-amino-2-fluoro-5-methoxyphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177199474
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
tert-butyl N-[4-[[4-(4-amino-2-fluoro-5-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 170953965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide (CID 107259017) is 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide is COc1cc(N2CCC(CC(N)=O)CC2)c(F)cc1N.
What is the InChIKey of 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide?
The InChIKey is DUWIDZMFMPGXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-20-13-8-12(10(15)7-11(13)16)18-4-2-9(3-5-18)6-14(17)19/h7-9H,2-6,16H2,1H3,(H2,17,19).
What are the key properties of 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide?
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 107259017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).