1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide

C20H25FN4O2 — CID 53181624

IUPAC1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3cccc(F)c3)c2C)CC1
InChIInChI=1S/C20H25FN4O2/c1-13-19(20(27)22-12-16-5-4-6-17(21)11-16)23-14(2)25(13)18-7-9-24(10-8-18)15(3)26/h4-6,11,18H,7-10,12H2,1-3H3,(H,22,27)
InChIKeyVTXHAAITZOJCFF-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.75
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide (PubChem CID 53181624) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
PubChem CID53181624
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3cccc(F)c3)c2C)CC1
InChIInChI=1S/C20H25FN4O2/c1-13-19(20(27)22-12-16-5-4-6-17(21)11-16)23-14(2)25(13)18-7-9-24(10-8-18)15(3)26/h4-6,11,18H,7-10,12H2,1-3H3,(H,22,27)
InChIKeyVTXHAAITZOJCFF-UHFFFAOYSA-N
XLogP2.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181549
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006000
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide (CID 53181624) is 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide is CC(=O)N1CCC(n2c(C)nc(C(=O)NCc3cccc(F)c3)c2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is VTXHAAITZOJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13-19(20(27)22-12-16-5-4-6-17(21)11-16)23-14(2)25(13)18-7-9-24(10-8-18)15(3)26/h4-6,11,18H,7-10,12H2,1-3H3,(H,22,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 53181624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).