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

C20H20FN3O4 — CID 17223933

IUPAC1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H20FN3O4/c1-13-17(3-2-4-18(13)24(27)28)22-19(25)14-9-11-23(12-10-14)20(26)15-5-7-16(21)8-6-15/h2-8,14H,9-12H2,1H3,(H,22,25)
InChIKeyKKBJTXZUOANZRM-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.53
Rot. Bonds4

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

1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17223933) 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-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
PubChem CID17223933
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C20H20FN3O4/c1-13-17(3-2-4-18(13)24(27)28)22-19(25)14-9-11-23(12-10-14)20(26)15-5-7-16(21)8-6-15/h2-8,14H,9-12H2,1H3,(H,22,25)
InChIKeyKKBJTXZUOANZRM-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-3-carboxamide
CID 24535053
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
1-(3-fluoro-4-methyl-5-nitrobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55777930
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 38152069
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55700862
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126069157
1-(3-fluorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223630
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide (CID 17223933) is 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is KKBJTXZUOANZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13-17(3-2-4-18(13)24(27)28)22-19(25)14-9-11-23(12-10-14)20(26)15-5-7-16(21)8-6-15/h2-8,14H,9-12H2,1H3,(H,22,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 17223933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).