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

C30H32FN5O3 — CID 56652372

IUPACN-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H32FN5O3/c31-25-9-6-22(7-10-25)21-34-16-18-36(19-17-34)30(39)24-8-11-27(32-20-24)28(37)33-26-12-14-35(15-13-26)29(38)23-4-2-1-3-5-23/h1-11,20,26H,12-19,21H2,(H,33,37)
InChIKeyPGYYJEYPHRIKEA-UHFFFAOYSA-N
MW529.62 g/mol
LogP3.21
Rot. Bonds6

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

N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56652372) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56652372
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC NameN-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H32FN5O3/c31-25-9-6-22(7-10-25)21-34-16-18-36(19-17-34)30(39)24-8-11-27(32-20-24)28(37)33-26-12-14-35(15-13-26)29(38)23-4-2-1-3-5-23/h1-11,20,26H,12-19,21H2,(H,33,37)
InChIKeyPGYYJEYPHRIKEA-UHFFFAOYSA-N
XLogP3.21
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (CID 56652372) is N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is PGYYJEYPHRIKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3/c31-25-9-6-22(7-10-25)21-34-16-18-36(19-17-34)30(39)24-8-11-27(32-20-24)28(37)33-26-12-14-35(15-13-26)29(38)23-4-2-1-3-5-23/h1-11,20,26H,12-19,21H2,(H,33,37).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 529.62 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56652372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).