N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C22H26FN5O2 — CID 55710621

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H26FN5O2/c23-19-4-2-1-3-18(19)22(30)28-13-7-17(8-14-28)26-21(29)16-5-11-27(12-6-16)20-15-24-9-10-25-20/h1-4,9-10,15-17H,5-8,11-14H2,(H,26,29)
InChIKeyLNAFNCFPAXUELG-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 55710621) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID55710621
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H26FN5O2/c23-19-4-2-1-3-18(19)22(30)28-13-7-17(8-14-28)26-21(29)16-5-11-27(12-6-16)20-15-24-9-10-25-20/h1-4,9-10,15-17H,5-8,11-14H2,(H,26,29)
InChIKeyLNAFNCFPAXUELG-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
CID 125155070
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 71980650
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 99630106
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 55710621) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is LNAFNCFPAXUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c23-19-4-2-1-3-18(19)22(30)28-13-7-17(8-14-28)26-21(29)16-5-11-27(12-6-16)20-15-24-9-10-25-20/h1-4,9-10,15-17H,5-8,11-14H2,(H,26,29).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55710621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).