4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C32H29F2N3O2 — CID 59527882

IUPAC4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2(c3ccc(F)cc3)CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)n1
InChIInChI=1S/C32H29F2N3O2/c1-22-3-2-4-29(36-22)21-35-31(39)32(26-11-15-28(34)16-12-26)17-19-37(20-18-32)30(38)25-7-5-23(6-8-25)24-9-13-27(33)14-10-24/h2-16H,17-21H2,1H3,(H,35,39)
InChIKeyFVQOWBZBPCXJKU-UHFFFAOYSA-N
MW525.60 g/mol
LogP5.83
Rot. Bonds6

About 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 59527882) 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-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID59527882
Molecular FormulaC32H29F2N3O2
Molecular Weight525.60 g/mol
Exact Mass525.22
IUPAC Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CNC(=O)C2(c3ccc(F)cc3)CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)n1
InChIInChI=1S/C32H29F2N3O2/c1-22-3-2-4-29(36-22)21-35-31(39)32(26-11-15-28(34)16-12-26)17-19-37(20-18-32)30(38)25-7-5-23(6-8-25)24-9-13-27(33)14-10-24/h2-16H,17-21H2,1H3,(H,35,39)
InChIKeyFVQOWBZBPCXJKU-UHFFFAOYSA-N
XLogP5.83
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 ≤ 55.83
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-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 59527882) is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cccc(CNC(=O)C2(c3ccc(F)cc3)CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is FVQOWBZBPCXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N3O2/c1-22-3-2-4-29(36-22)21-35-31(39)32(26-11-15-28(34)16-12-26)17-19-37(20-18-32)30(38)25-7-5-23(6-8-25)24-9-13-27(33)14-10-24/h2-16H,17-21H2,1H3,(H,35,39).
What are the key properties of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 525.60 g/mol, XLogP of 5.83, 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-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).