4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide

C24H27FN4O2 — CID 155983105

IUPAC4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(Cc3ccc(OC)cc3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O2/c1-26-24(30)22-21(17-5-7-19(25)8-6-17)27-23(28-22)18-11-13-29(14-12-18)15-16-3-9-20(31-2)10-4-16/h3-10,18H,11-15H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyBGABJYPIXLDTHI-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.96
Rot. Bonds6

About 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide

4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 155983105) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
PubChem CID155983105
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(Cc3ccc(OC)cc3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O2/c1-26-24(30)22-21(17-5-7-19(25)8-6-17)27-23(28-22)18-11-13-29(14-12-18)15-16-3-9-20(31-2)10-4-16/h3-10,18H,11-15H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyBGABJYPIXLDTHI-UHFFFAOYSA-N
XLogP3.96
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619049
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 110092685
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 110092686
4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 92620301
N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 155983106
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092665
2-[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 129360797
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108835
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide (CID 155983105) is 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C2CCN(Cc3ccc(OC)cc3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is BGABJYPIXLDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-26-24(30)22-21(17-5-7-19(25)8-6-17)27-23(28-22)18-11-13-29(14-12-18)15-16-3-9-20(31-2)10-4-16/h3-10,18H,11-15H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide?
4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155983105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).