1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide

C13H18FN3O2 — CID 55215681

IUPAC1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(N2CCC(C(N)=O)CC2)c(N)cc1F
InChIInChI=1S/C13H18FN3O2/c1-19-12-7-11(10(15)6-9(12)14)17-4-2-8(3-5-17)13(16)18/h6-8H,2-5,15H2,1H3,(H2,16,18)
InChIKeyNEVYNCYRYOYQRW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.12
Rot. Bonds3

About 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide

1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 55215681) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
PubChem CID55215681
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(N2CCC(C(N)=O)CC2)c(N)cc1F
InChIInChI=1S/C13H18FN3O2/c1-19-12-7-11(10(15)6-9(12)14)17-4-2-8(3-5-17)13(16)18/h6-8H,2-5,15H2,1H3,(H2,16,18)
InChIKeyNEVYNCYRYOYQRW-UHFFFAOYSA-N
XLogP1.12
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.12
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

2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
1-(2-amino-4-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55215875
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 107259017
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955599
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
5-fluoro-4-methoxy-2-(1,4-oxazepan-4-yl)aniline
CID 63598726
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide (CID 55215681) is 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide is COc1cc(N2CCC(C(N)=O)CC2)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NEVYNCYRYOYQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-19-12-7-11(10(15)6-9(12)14)17-4-2-8(3-5-17)13(16)18/h6-8H,2-5,15H2,1H3,(H2,16,18).
What are the key properties of 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide?
1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55215681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).