5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide

C14H18FN3O3 — CID 119464062

IUPAC5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1cc(F)cc(C(=O)NCC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18FN3O3/c1-9-5-11(15)6-12(13(9)18(20)21)14(19)17-8-10-3-2-4-16-7-10/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyDEGOHJJUUWQNHC-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.77
Rot. Bonds4

About 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide

5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119464062) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119464062
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1cc(F)cc(C(=O)NCC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18FN3O3/c1-9-5-11(15)6-12(13(9)18(20)21)14(19)17-8-10-3-2-4-16-7-10/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyDEGOHJJUUWQNHC-UHFFFAOYSA-N
XLogP1.77
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.77
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

5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119558950
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
5-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)-2-nitrobenzamide
CID 120553465
2-iodo-4-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464595
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462137
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide (CID 119464062) is 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide is Cc1cc(F)cc(C(=O)NCC2CCCNC2)c1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is DEGOHJJUUWQNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-9-5-11(15)6-12(13(9)18(20)21)14(19)17-8-10-3-2-4-16-7-10/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 295.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119464062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).