1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide

C20H20FN3O4 — CID 24535053

IUPAC1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H20FN3O4/c1-13-17(5-2-6-18(13)24(27)28)22-19(25)15-4-3-11-23(12-15)20(26)14-7-9-16(21)10-8-14/h2,5-10,15H,3-4,11-12H2,1H3,(H,22,25)
InChIKeyAPTYMCSGOFPLFB-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide (PubChem CID 24535053) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
PubChem CID24535053
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H20FN3O4/c1-13-17(5-2-6-18(13)24(27)28)22-19(25)15-4-3-11-23(12-15)20(26)14-7-9-16(21)10-8-14/h2,5-10,15H,3-4,11-12H2,1H3,(H,22,25)
InChIKeyAPTYMCSGOFPLFB-UHFFFAOYSA-N
XLogP3.53
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.53
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

1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 17223933
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
(3S)-1-(4-fluorobenzoyl)-N-(8-nitroquinolin-5-yl)piperidine-3-carboxamide
CID 99784251
(3R)-1-ethylsulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 125145391
1-[(2-fluorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 43924798
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
1-[(4-chlorophenyl)methyl]-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 43924792
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42925906
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide (CID 24535053) is 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide is Cc1c(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is APTYMCSGOFPLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13-17(5-2-6-18(13)24(27)28)22-19(25)15-4-3-11-23(12-15)20(26)14-7-9-16(21)10-8-14/h2,5-10,15H,3-4,11-12H2,1H3,(H,22,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24535053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).