(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide

C12H14FN3O3 — CID 104913764

IUPAC(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCN1
InChIInChI=1S/C12H14FN3O3/c13-9-7-8(16(18)19)4-5-10(9)15-12(17)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6H2,(H,15,17)/t11-/m1/s1
InChIKeyGRWOMZGVOYKSAK-LLVKDONJSA-N
MW267.26 g/mol
LogP1.81
Rot. Bonds3

About (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide

(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide (PubChem CID 104913764) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
PubChem CID104913764
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCN1
InChIInChI=1S/C12H14FN3O3/c13-9-7-8(16(18)19)4-5-10(9)15-12(17)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6H2,(H,15,17)/t11-/m1/s1
InChIKeyGRWOMZGVOYKSAK-LLVKDONJSA-N
XLogP1.81
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.81
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-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
N-(2-fluoro-4-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892807
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide (CID 104913764) is (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is GRWOMZGVOYKSAK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-9-7-8(16(18)19)4-5-10(9)15-12(17)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6H2,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide?
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104913764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).