N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide

C12H14FN3O3 — CID 116657035

IUPACN-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)N1CCCCC1
InChIInChI=1S/C12H14FN3O3/c13-10-8-9(4-5-11(10)16(18)19)14-12(17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,17)
InChIKeyPBRIISJCYXTUAQ-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.75
Rot. Bonds2

About N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide

N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide (PubChem CID 116657035) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
PubChem CID116657035
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)N1CCCCC1
InChIInChI=1S/C12H14FN3O3/c13-10-8-9(4-5-11(10)16(18)19)14-12(17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,17)
InChIKeyPBRIISJCYXTUAQ-UHFFFAOYSA-N
XLogP2.75
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520
4-(3-fluorobenzoyl)-N-(3-fluoro-4-nitrophenyl)piperazine-1-carboxamide;3-fluoro-4-nitrobenzoic acid;(3-fluorophenyl)-piperazin-1-ylmethanone
CID 161351635
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid
CID 79156921
N-(3-fluoro-4-nitrophenyl)carbamothioyl chloride
CID 135378563
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide (CID 116657035) is N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)N1CCCCC1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is PBRIISJCYXTUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-10-8-9(4-5-11(10)16(18)19)14-12(17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,17).
What are the key properties of N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide?
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 116657035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).