N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide

C14H18FN3O3 — CID 107335001

IUPACN-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H18FN3O3/c15-10-7-12(9-13(8-10)18(20)21)17-14(19)5-4-11-3-1-2-6-16-11/h7-9,11,16H,1-6H2,(H,17,19)
InChIKeyFONKWDVJGXFHLC-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.59
Rot. Bonds5

About N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide

N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 107335001) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
PubChem CID107335001
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H18FN3O3/c15-10-7-12(9-13(8-10)18(20)21)17-14(19)5-4-11-3-1-2-6-16-11/h7-9,11,16H,1-6H2,(H,17,19)
InChIKeyFONKWDVJGXFHLC-UHFFFAOYSA-N
XLogP2.59
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.59
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

3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 82865738
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide (CID 107335001) is N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is FONKWDVJGXFHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-10-7-12(9-13(8-10)18(20)21)17-14(19)5-4-11-3-1-2-6-16-11/h7-9,11,16H,1-6H2,(H,17,19).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide?
N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 295.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 107335001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).