N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C17H19FN4O — CID 23607670

IUPACN-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H19FN4O/c18-15-6-2-1-4-13(15)10-21-17(23)14-5-3-9-22(12-14)16-11-19-7-8-20-16/h1-2,4,6-8,11,14H,3,5,9-10,12H2,(H,21,23)
InChIKeyNIISQWSECSBQDO-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.15
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607670) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607670
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H19FN4O/c18-15-6-2-1-4-13(15)10-21-17(23)14-5-3-9-22(12-14)16-11-19-7-8-20-16/h1-2,4,6-8,11,14H,3,5,9-10,12H2,(H,21,23)
InChIKeyNIISQWSECSBQDO-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607670) is N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccccc1F)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is NIISQWSECSBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-6-2-1-4-13(15)10-21-17(23)14-5-3-9-22(12-14)16-11-19-7-8-20-16/h1-2,4,6-8,11,14H,3,5,9-10,12H2,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).