5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C31H32F2N4O3 — CID 58073166

IUPAC5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C31H32F2N4O3/c32-25-6-1-21(2-7-25)20-36-15-13-27(14-16-36)35-30(39)28-10-5-24(19-34-28)31(40)37-17-11-23(12-18-37)29(38)22-3-8-26(33)9-4-22/h1-10,19,23,27H,11-18,20H2,(H,35,39)
InChIKeyMBOYAXNHBWUBSB-UHFFFAOYSA-N
MW546.62 g/mol
LogP4.49
Rot. Bonds7

About 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 58073166) has the molecular formula C31H32F2N4O3 and a molecular weight of 546.62 g/mol. Its IUPAC name is 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID58073166
Molecular FormulaC31H32F2N4O3
Molecular Weight546.62 g/mol
Exact Mass546.24
IUPAC Name5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C31H32F2N4O3/c32-25-6-1-21(2-7-25)20-36-15-13-27(14-16-36)35-30(39)28-10-5-24(19-34-28)31(40)37-17-11-23(12-18-37)29(38)22-3-8-26(33)9-4-22/h1-10,19,23,27H,11-18,20H2,(H,35,39)
InChIKeyMBOYAXNHBWUBSB-UHFFFAOYSA-N
XLogP4.49
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 58073166) is 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is MBOYAXNHBWUBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O3/c32-25-6-1-21(2-7-25)20-36-15-13-27(14-16-36)35-30(39)28-10-5-24(19-34-28)31(40)37-17-11-23(12-18-37)29(38)22-3-8-26(33)9-4-22/h1-10,19,23,27H,11-18,20H2,(H,35,39).
What are the key properties of 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 546.62 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58073166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).