5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide

C29H32FN5O2 — CID 56652373

IUPAC5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C29H32FN5O2/c30-24-9-6-22(7-10-24)21-33-16-18-35(19-17-33)29(37)23-8-11-27(31-20-23)28(36)32-25-12-14-34(15-13-25)26-4-2-1-3-5-26/h1-11,20,25H,12-19,21H2,(H,32,36)
InChIKeyHQTGOKGRHCNFPD-UHFFFAOYSA-N
MW501.61 g/mol
LogP3.58
Rot. Bonds6

About 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide

5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 56652373) has the molecular formula C29H32FN5O2 and a molecular weight of 501.61 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID56652373
Molecular FormulaC29H32FN5O2
Molecular Weight501.61 g/mol
Exact Mass501.25
IUPAC Name5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C29H32FN5O2/c30-24-9-6-22(7-10-24)21-33-16-18-35(19-17-33)29(37)23-8-11-27(31-20-23)28(36)32-25-12-14-34(15-13-25)26-4-2-1-3-5-26/h1-11,20,25H,12-19,21H2,(H,32,36)
InChIKeyHQTGOKGRHCNFPD-UHFFFAOYSA-N
XLogP3.58
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide (CID 56652373) is 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide is O=C(NC1CCN(c2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is HQTGOKGRHCNFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O2/c30-24-9-6-22(7-10-24)21-33-16-18-35(19-17-33)29(37)23-8-11-27(31-20-23)28(36)32-25-12-14-34(15-13-25)26-4-2-1-3-5-26/h1-11,20,25H,12-19,21H2,(H,32,36).
What are the key properties of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide?
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 501.61 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(1-phenylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 56652373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).