N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide

C32H33FN4O2 — CID 90666267

IUPACN-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1
InChIInChI=1S/C32H33FN4O2/c1-21-22(2)37(30-13-11-28(33)12-14-30)32(34-21)31(39)26-9-7-24(8-10-26)20-36-17-15-25(16-18-36)27-5-4-6-29(19-27)35-23(3)38/h4-14,19,25H,15-18,20H2,1-3H3,(H,35,38)
InChIKeyAZQHNRSFBRWIBM-UHFFFAOYSA-N
MW524.64 g/mol
LogP6.20
Rot. Bonds7

About N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 90666267) has the molecular formula C32H33FN4O2 and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide
PubChem CID90666267
Molecular FormulaC32H33FN4O2
Molecular Weight524.64 g/mol
Exact Mass524.26
IUPAC NameN-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1
InChIInChI=1S/C32H33FN4O2/c1-21-22(2)37(30-13-11-28(33)12-14-30)32(34-21)31(39)26-9-7-24(8-10-26)20-36-17-15-25(16-18-36)27-5-4-6-29(19-27)35-23(3)38/h4-14,19,25H,15-18,20H2,1-3H3,(H,35,38)
InChIKeyAZQHNRSFBRWIBM-UHFFFAOYSA-N
XLogP6.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.64
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide (CID 90666267) is N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is AZQHNRSFBRWIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O2/c1-21-22(2)37(30-13-11-28(33)12-14-30)32(34-21)31(39)26-9-7-24(8-10-26)20-36-17-15-25(16-18-36)27-5-4-6-29(19-27)35-23(3)38/h4-14,19,25H,15-18,20H2,1-3H3,(H,35,38).
What are the key properties of N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 524.64 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[4-[1-(4-fluorophenyl)-4,5-dimethylimidazole-2-carbonyl]phenyl]methyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 90666267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).