4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide

C32H29F2N3O2 — CID 59527731

IUPAC4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccn1
InChIInChI=1S/C32H29F2N3O2/c1-22(29-4-2-3-19-35-29)36-31(39)32(26-11-15-28(34)16-12-26)17-20-37(21-18-32)30(38)25-7-5-23(6-8-25)24-9-13-27(33)14-10-24/h2-16,19,22H,17-18,20-21H2,1H3,(H,36,39)
InChIKeyJOSWKRZZCYBPPN-UHFFFAOYSA-N
MW525.60 g/mol
LogP6.08
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide

4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide (PubChem CID 59527731) has the molecular formula C32H29F2N3O2 and a molecular weight of 525.60 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide
PubChem CID59527731
Molecular FormulaC32H29F2N3O2
Molecular Weight525.60 g/mol
Exact Mass525.22
IUPAC Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccn1
InChIInChI=1S/C32H29F2N3O2/c1-22(29-4-2-3-19-35-29)36-31(39)32(26-11-15-28(34)16-12-26)17-20-37(21-18-32)30(38)25-7-5-23(6-8-25)24-9-13-27(33)14-10-24/h2-16,19,22H,17-18,20-21H2,1H3,(H,36,39)
InChIKeyJOSWKRZZCYBPPN-UHFFFAOYSA-N
XLogP6.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide (CID 59527731) is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is JOSWKRZZCYBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N3O2/c1-22(29-4-2-3-19-35-29)36-31(39)32(26-11-15-28(34)16-12-26)17-20-37(21-18-32)30(38)25-7-5-23(6-8-25)24-9-13-27(33)14-10-24/h2-16,19,22H,17-18,20-21H2,1H3,(H,36,39).
What are the key properties of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide?
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 525.60 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 59527731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).