N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide

C12H17F2N5O — CID 170788404

IUPACN-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide
SMILESCNC1CCN(c2cnc(NC(C)=O)cn2)CC1(F)F
InChIInChI=1S/C12H17F2N5O/c1-8(20)18-10-5-17-11(6-16-10)19-4-3-9(15-2)12(13,14)7-19/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,18,20)
InChIKeyROLUXHHAJLTKKJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.87
Rot. Bonds3

About N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide

N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide (PubChem CID 170788404) has the molecular formula C12H17F2N5O and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide
PubChem CID170788404
Molecular FormulaC12H17F2N5O
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC NameN-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide
SMILESCNC1CCN(c2cnc(NC(C)=O)cn2)CC1(F)F
InChIInChI=1S/C12H17F2N5O/c1-8(20)18-10-5-17-11(6-16-10)19-4-3-9(15-2)12(13,14)7-19/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,18,20)
InChIKeyROLUXHHAJLTKKJ-UHFFFAOYSA-N
XLogP0.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(pyrazin-2-yl)piperidin-4-amine
CID 23215508
N-(1-acetylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 53520646
N1-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71786355
N-methyl-1-(pyrazin-2-yl)piperidin-4-amine hydrochloride
CID 71642805
N-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)acetamide
CID 71786542
N-carbamoyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 43061940
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]acetamide
CID 71978068
2-[methyl(piperidin-4-yl)amino]-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]acetamide
CID 125515633
2-[(3S)-3-propylpiperazin-1-yl]pyrazine
CID 129560902
(2S)-4,4-Difluoro-1-[2-[[1-(2-pyrazinyl)-4-piperidinyl]amino]acetyl]-2-pyrrolidinecarbonitrile
CID 10308936
(2S)-4,4-difluoro-1-[2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 67000368
1-(3,3-Difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
CID 67000785

Frequently Asked Questions

What is the IUPAC name of N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide?
The IUPAC name of N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide (CID 170788404) is N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide is CNC1CCN(c2cnc(NC(C)=O)cn2)CC1(F)F.
What is the InChIKey of N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide?
The InChIKey is ROLUXHHAJLTKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O/c1-8(20)18-10-5-17-11(6-16-10)19-4-3-9(15-2)12(13,14)7-19/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,18,20).
What are the key properties of N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide?
N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide has a molecular weight of 285.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3,3-difluoro-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 170788404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).