N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide

C23H25FN4O2 — CID 108756922

IUPACN-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
SMILESCc1ccc2nc(C3CCN(C(=O)CCC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1
InChIInChI=1S/C23H25FN4O2/c1-15-2-7-19-20(14-15)27-23(26-19)16-10-12-28(13-11-16)22(30)9-8-21(29)25-18-5-3-17(24)4-6-18/h2-7,14,16H,8-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyRUWHGEKWBAHJJL-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.14
Rot. Bonds5

About N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide

N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide (PubChem CID 108756922) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
PubChem CID108756922
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
SMILESCc1ccc2nc(C3CCN(C(=O)CCC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1
InChIInChI=1S/C23H25FN4O2/c1-15-2-7-19-20(14-15)27-23(26-19)16-10-12-28(13-11-16)22(30)9-8-21(29)25-18-5-3-17(24)4-6-18/h2-7,14,16H,8-13H2,1H3,(H,25,29)(H,26,27)
InChIKeyRUWHGEKWBAHJJL-UHFFFAOYSA-N
XLogP4.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
1-(3,4-dimethylphenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 108733616
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)piperidine-1-carbothioamide
CID 43815871
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 108756963
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
4-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 6985710
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide (CID 108756922) is N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide is Cc1ccc2nc(C3CCN(C(=O)CCC(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1.
What is the InChIKey of N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide?
The InChIKey is RUWHGEKWBAHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15-2-7-19-20(14-15)27-23(26-19)16-10-12-28(13-11-16)22(30)9-8-21(29)25-18-5-3-17(24)4-6-18/h2-7,14,16H,8-13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide?
N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide has a molecular weight of 408.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 108756922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).