N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide

C13H16FN3O3 — CID 63121900

IUPACN-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CCNCC1
InChIInChI=1S/C13H16FN3O3/c1-13(4-6-15-7-5-13)12(18)16-10-3-2-9(14)8-11(10)17(19)20/h2-3,8,15H,4-7H2,1H3,(H,16,18)
InChIKeyYIHKSVXKQNAPJC-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.06
Rot. Bonds3

About N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide

N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63121900) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide
PubChem CID63121900
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC NameN-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CCNCC1
InChIInChI=1S/C13H16FN3O3/c1-13(4-6-15-7-5-13)12(18)16-10-3-2-9(14)8-11(10)17(19)20/h2-3,8,15H,4-7H2,1H3,(H,16,18)
InChIKeyYIHKSVXKQNAPJC-UHFFFAOYSA-N
XLogP2.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(2-bromo-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121705
N-(3-bromo-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 82864837
N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 104668086
N-(5-chloro-2-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63139685
N-(3-chloro-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 82864846
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
(4-fluoro-2-nitrophenyl)urea
CID 69476086
1-amino-N-(4-fluoro-2-nitrophenyl)-3-methylcyclohexane-1-carboxamide
CID 64551080
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide (CID 63121900) is N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CCNCC1.
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is YIHKSVXKQNAPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-13(4-6-15-7-5-13)12(18)16-10-3-2-9(14)8-11(10)17(19)20/h2-3,8,15H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide?
N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).