N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C16H17FN4O — CID 23607666

IUPACN-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H17FN4O/c17-13-4-1-5-14(9-13)20-16(22)12-3-2-8-21(11-12)15-10-18-6-7-19-15/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22)
InChIKeyYMMWBVRGOPHIIE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.47
Rot. Bonds3

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

N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607666) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607666
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C16H17FN4O/c17-13-4-1-5-14(9-13)20-16(22)12-3-2-8-21(11-12)15-10-18-6-7-19-15/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22)
InChIKeyYMMWBVRGOPHIIE-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2741630
CID 2741630
CID 3222609
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CID 4568965
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CID 16014783
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CID 19916756
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CID 23607667
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CID 23607670
CID 23607670

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607666) is N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is YMMWBVRGOPHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-4-1-5-14(9-13)20-16(22)12-3-2-8-21(11-12)15-10-18-6-7-19-15/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).