5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid

C25H29F2NO4 — CID 57320553

IUPAC5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid
SMILESCCC1(C(=O)O)C(C(C)C)NC(c2ccc(F)cc2)C(C)(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C25H29F2NO4/c1-5-25(23(31)32)19(15-6-10-17(26)11-7-15)24(4,22(29)30)21(28-20(25)14(2)3)16-8-12-18(27)13-9-16/h6-14,19-21,28H,5H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyWVKUCCOAMQBSPA-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.99
Rot. Bonds6

About 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid

5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid (PubChem CID 57320553) has the molecular formula C25H29F2NO4 and a molecular weight of 445.51 g/mol. Its IUPAC name is 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid
PubChem CID57320553
Molecular FormulaC25H29F2NO4
Molecular Weight445.51 g/mol
Exact Mass445.21
IUPAC Name5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid
SMILESCCC1(C(=O)O)C(C(C)C)NC(c2ccc(F)cc2)C(C)(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C25H29F2NO4/c1-5-25(23(31)32)19(15-6-10-17(26)11-7-15)24(4,22(29)30)21(28-20(25)14(2)3)16-8-12-18(27)13-9-16/h6-14,19-21,28H,5H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyWVKUCCOAMQBSPA-UHFFFAOYSA-N
XLogP4.99
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid?
The IUPAC name of 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid (CID 57320553) is 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid.
What is the SMILES notation for 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid?
The canonical SMILES for 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid is CCC1(C(=O)O)C(C(C)C)NC(c2ccc(F)cc2)C(C)(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid?
The InChIKey is WVKUCCOAMQBSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2NO4/c1-5-25(23(31)32)19(15-6-10-17(26)11-7-15)24(4,22(29)30)21(28-20(25)14(2)3)16-8-12-18(27)13-9-16/h6-14,19-21,28H,5H2,1-4H3,(H,29,30)(H,31,32).
What are the key properties of 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid?
5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid has a molecular weight of 445.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-bis(4-fluorophenyl)-3-methyl-6-propan-2-ylpiperidine-3,5-dicarboxylic acid is sourced from PubChem (CID 57320553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).