2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide

C24H29FN2O3 — CID 108549687

IUPAC2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C24H29FN2O3/c1-16-4-5-17(2)24(18(16)3)30-15-23(29)27-12-10-21(11-13-27)26-22(28)14-19-6-8-20(25)9-7-19/h4-9,21H,10-15H2,1-3H3,(H,26,28)
InChIKeyZGEKZNMJYYKGAM-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108549687) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108549687
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C24H29FN2O3/c1-16-4-5-17(2)24(18(16)3)30-15-23(29)27-12-10-21(11-13-27)26-22(28)14-19-6-8-20(25)9-7-19/h4-9,21H,10-15H2,1-3H3,(H,26,28)
InChIKeyZGEKZNMJYYKGAM-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108549687) is 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide is Cc1ccc(C)c(OCC(=O)N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is ZGEKZNMJYYKGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-16-4-5-17(2)24(18(16)3)30-15-23(29)27-12-10-21(11-13-27)26-22(28)14-19-6-8-20(25)9-7-19/h4-9,21H,10-15H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).