1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide

C17H19FN4O2 — CID 136554417

IUPAC1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)N(c2cccc(F)c2)C1)c1nccn1C
InChIInChI=1S/C17H19FN4O2/c1-20-9-8-19-17(20)21(2)16(24)12-6-7-15(23)22(11-12)14-5-3-4-13(18)10-14/h3-5,8-10,12H,6-7,11H2,1-2H3
InChIKeyRHIHACOHPAXSID-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide

1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 136554417) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID136554417
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C(=O)C1CCC(=O)N(c2cccc(F)c2)C1)c1nccn1C
InChIInChI=1S/C17H19FN4O2/c1-20-9-8-19-17(20)21(2)16(24)12-6-7-15(23)22(11-12)14-5-3-4-13(18)10-14/h3-5,8-10,12H,6-7,11H2,1-2H3
InChIKeyRHIHACOHPAXSID-UHFFFAOYSA-N
XLogP1.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24816656
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42197532
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46588432
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 167826168
1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one
CID 136576143
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255351
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255350

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 136554417) is 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide is CN(C(=O)C1CCC(=O)N(c2cccc(F)c2)C1)c1nccn1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RHIHACOHPAXSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-20-9-8-19-17(20)21(2)16(24)12-6-7-15(23)22(11-12)14-5-3-4-13(18)10-14/h3-5,8-10,12H,6-7,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 136554417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).