(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone

C12H14FN3O3 — CID 107122901

IUPAC(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone
SMILESNc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCCC1
InChIInChI=1S/C12H14FN3O3/c13-8-4-5-9(16(18)19)11(14)10(8)12(17)15-6-2-1-3-7-15/h4-5H,1-3,6-7,14H2
InChIKeyRAKRJWVRGMTUTG-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.94
Rot. Bonds2

About (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone

(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone (PubChem CID 107122901) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone
PubChem CID107122901
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone
SMILESNc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCCC1
InChIInChI=1S/C12H14FN3O3/c13-8-4-5-9(16(18)19)11(14)10(8)12(17)15-6-2-1-3-7-15/h4-5H,1-3,6-7,14H2
InChIKeyRAKRJWVRGMTUTG-UHFFFAOYSA-N
XLogP1.94
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-6-fluoro-3-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 107122860
(2-amino-6-fluoro-3-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 107122905
(2-amino-6-fluoro-3-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107123084
(2-amino-6-fluoro-3-nitrophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 107123197
(2-amino-6-fluoro-3-nitrophenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107123072
(2-amino-6-fluoro-3-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107122808
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
(2,6-difluoro-3-nitrophenyl)-morpholin-4-ylmethanone
CID 2781778
2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
CID 107122863
2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122880
azepan-1-yl-(4-fluoro-2-nitrophenyl)methanone
CID 115692646

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone (CID 107122901) is (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone is Nc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCCCC1.
What is the InChIKey of (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone?
The InChIKey is RAKRJWVRGMTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-4-5-9(16(18)19)11(14)10(8)12(17)15-6-2-1-3-7-15/h4-5H,1-3,6-7,14H2.
What are the key properties of (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone?
(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone has a molecular weight of 267.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 107122901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).