N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide

C13H16ClN5O — CID 123632688

IUPACN-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C13H16ClN5O/c1-9(20)16-6-10-3-2-4-19(8-10)12-7-17-11(5-15)13(14)18-12/h7,10H,2-4,6,8H2,1H3,(H,16,20)
InChIKeyYEXBGFXKUGNULL-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.35
Rot. Bonds3

About N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide

N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 123632688) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID123632688
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C13H16ClN5O/c1-9(20)16-6-10-3-2-4-19(8-10)12-7-17-11(5-15)13(14)18-12/h7,10H,2-4,6,8H2,1H3,(H,16,20)
InChIKeyYEXBGFXKUGNULL-UHFFFAOYSA-N
XLogP1.35
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
3-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,1-dimethylurea
CID 118115329
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 118114798
N-[[1-(4-cyano-2,6-difluorophenyl)piperidin-3-yl]methyl]acetamide
CID 60609370
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858007
tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858058
tert-butyl N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]carbamate;2-[(3S)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-N-methyl-N-phenylacetamide;2-[(3S)-1-[5-cyano-6-(cyclopropylamino)pyrazin-2-yl]piperidin-3-yl]-N-methyl-N-phenylacetamide;3-(cyclopropylamino)-5-[(3S)-3-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 159901108
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide (CID 123632688) is N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2cnc(C#N)c(Cl)n2)C1.
What is the InChIKey of N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is YEXBGFXKUGNULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9(20)16-6-10-3-2-4-19(8-10)12-7-17-11(5-15)13(14)18-12/h7,10H,2-4,6,8H2,1H3,(H,16,20).
What are the key properties of N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide?
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 293.76 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 123632688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).