N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide

C14H18FN3O3 — CID 79005458

IUPACN-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide
SMILESCC1CC(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCN1C
InChIInChI=1S/C14H18FN3O3/c1-9-7-11(5-6-17(9)2)16-14(19)10-3-4-13(18(20)21)12(15)8-10/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,19)
InChIKeyNOYHJLUASLPJPM-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.95
Rot. Bonds3

About N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide

N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide (PubChem CID 79005458) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide
PubChem CID79005458
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide
SMILESCC1CC(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCN1C
InChIInChI=1S/C14H18FN3O3/c1-9-7-11(5-6-17(9)2)16-14(19)10-3-4-13(18(20)21)12(15)8-10/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,19)
InChIKeyNOYHJLUASLPJPM-UHFFFAOYSA-N
XLogP1.95
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.95
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

3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
2-[(3-fluoro-4-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813719
3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-nitrobenzamide
CID 104957120
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 62681454
(2,6-dimethylpiperidin-1-yl)-(3-fluoro-4-nitrophenyl)methanone
CID 62682342
cis-(1R,3S)-3-[(4-bromo-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321375
N-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
3-fluoro-4-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80611768
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
2,5-difluoro-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 67159216
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide (CID 79005458) is N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide is CC1CC(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCN1C.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide?
The InChIKey is NOYHJLUASLPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-9-7-11(5-6-17(9)2)16-14(19)10-3-4-13(18(20)21)12(15)8-10/h3-4,8-9,11H,5-7H2,1-2H3,(H,16,19).
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide?
N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide has a molecular weight of 295.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide is sourced from PubChem (CID 79005458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).