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

C33H31F2N3O2 — CID 59527884

IUPAC4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccn1
InChIInChI=1S/C33H31F2N3O2/c1-2-29(30-5-3-4-20-36-30)37-32(40)33(26-12-16-28(35)17-13-26)18-21-38(22-19-33)31(39)25-8-6-23(7-9-25)24-10-14-27(34)15-11-24/h3-17,20,29H,2,18-19,21-22H2,1H3,(H,37,40)
InChIKeyBIHOEWJKERTTFH-UHFFFAOYSA-N
MW539.63 g/mol
LogP6.47
Rot. Bonds7

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

4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 59527884) has the molecular formula C33H31F2N3O2 and a molecular weight of 539.63 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide
PubChem CID59527884
Molecular FormulaC33H31F2N3O2
Molecular Weight539.63 g/mol
Exact Mass539.24
IUPAC Name4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccn1
InChIInChI=1S/C33H31F2N3O2/c1-2-29(30-5-3-4-20-36-30)37-32(40)33(26-12-16-28(35)17-13-26)18-21-38(22-19-33)31(39)25-8-6-23(7-9-25)24-10-14-27(34)15-11-24/h3-17,20,29H,2,18-19,21-22H2,1H3,(H,37,40)
InChIKeyBIHOEWJKERTTFH-UHFFFAOYSA-N
XLogP6.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 56.47
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-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide (CID 59527884) is 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide is CCC(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-ylpropyl)piperidine-4-carboxamide?
The InChIKey is BIHOEWJKERTTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N3O2/c1-2-29(30-5-3-4-20-36-30)37-32(40)33(26-12-16-28(35)17-13-26)18-21-38(22-19-33)31(39)25-8-6-23(7-9-25)24-10-14-27(34)15-11-24/h3-17,20,29H,2,18-19,21-22H2,1H3,(H,37,40).
What are the key properties of 4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide?
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)benzoyl]-N-(1-pyridin-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 539.63 g/mol, XLogP of 6.47, 7 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-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 59527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).