4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide

C32H36FN3O2 — CID 11283686

IUPAC4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)28-10-8-25(9-11-28)31(26-12-16-30(17-13-26)34-23(3)37)27-18-20-35(21-19-27)22-24-6-14-29(33)15-7-24/h6-17H,4-5,18-22H2,1-3H3,(H,34,37)
InChIKeyFAQVYBZKVQCYIH-UHFFFAOYSA-N
MW513.66 g/mol
LogP6.36
Rot. Bonds8

About 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide

4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide (PubChem CID 11283686) has the molecular formula C32H36FN3O2 and a molecular weight of 513.66 g/mol. Its IUPAC name is 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
PubChem CID11283686
Molecular FormulaC32H36FN3O2
Molecular Weight513.66 g/mol
Exact Mass513.28
IUPAC Name4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)28-10-8-25(9-11-28)31(26-12-16-30(17-13-26)34-23(3)37)27-18-20-35(21-19-27)22-24-6-14-29(33)15-7-24/h6-17H,4-5,18-22H2,1-3H3,(H,34,37)
InChIKeyFAQVYBZKVQCYIH-UHFFFAOYSA-N
XLogP6.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide (CID 11283686) is 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide?
The InChIKey is FAQVYBZKVQCYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)28-10-8-25(9-11-28)31(26-12-16-30(17-13-26)34-23(3)37)27-18-20-35(21-19-27)22-24-6-14-29(33)15-7-24/h6-17H,4-5,18-22H2,1-3H3,(H,34,37).
What are the key properties of 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide?
4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide has a molecular weight of 513.66 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 11283686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).