N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide

C12H16F2N4O — CID 49074761

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1cnccn1
InChIInChI=1S/C12H16F2N4O/c13-11(14)8-18-5-1-9(2-6-18)17-12(19)10-7-15-3-4-16-10/h3-4,7,9,11H,1-2,5-6,8H2,(H,17,19)
InChIKeyOMYWADCIXZUEJR-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.94
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 49074761) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID49074761
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1cnccn1
InChIInChI=1S/C12H16F2N4O/c13-11(14)8-18-5-1-9(2-6-18)17-12(19)10-7-15-3-4-16-10/h3-4,7,9,11H,1-2,5-6,8H2,(H,17,19)
InChIKeyOMYWADCIXZUEJR-UHFFFAOYSA-N
XLogP0.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 49074761) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(CC(F)F)CC1)c1cnccn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is OMYWADCIXZUEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c13-11(14)8-18-5-1-9(2-6-18)17-12(19)10-7-15-3-4-16-10/h3-4,7,9,11H,1-2,5-6,8H2,(H,17,19).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 49074761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).