1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide

C17H24FN3O3 — CID 49431535

IUPAC1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C17H24FN3O3/c1-3-5-12(2)19-17(22)13-6-4-9-20(11-13)15-8-7-14(18)10-16(15)21(23)24/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,22)
InChIKeyGTRWEAXNZNXDTD-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.26
Rot. Bonds6

About 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 49431535) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID49431535
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C17H24FN3O3/c1-3-5-12(2)19-17(22)13-6-4-9-20(11-13)15-8-7-14(18)10-16(15)21(23)24/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,22)
InChIKeyGTRWEAXNZNXDTD-UHFFFAOYSA-N
XLogP3.26
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
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

4-(3-methylpiperidin-1-yl)-3-nitro-N-pentan-2-ylbenzamide
CID 24624939
1-(2-methyl-8-nitroquinolin-4-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133436999
N-[[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274957
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-pentan-2-ylpiperidine-4-carboxamide
CID 24639365
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-nitro-4-piperidin-1-ylbenzoate
CID 18073992
N-butyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 49431649
ethyl (3S)-1-(4-bromo-2-nitrophenyl)piperidine-3-carboxylate
CID 133374384
ethyl (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 40649668
[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 56805196
1-[4-(1-hydroxyethyl)-2-nitrophenyl]piperidine-3-carboxamide
CID 43505870
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505
1-(2,4-dinitrophenyl)-N,N-diethylpiperidine-3-carboxamide
CID 3124720

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 49431535) is 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is GTRWEAXNZNXDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-3-5-12(2)19-17(22)13-6-4-9-20(11-13)15-8-7-14(18)10-16(15)21(23)24/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49431535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).