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

C12H14ClN5O — CID 118146345

IUPACN-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C12H14ClN5O/c1-8(19)16-9-3-2-4-18(7-9)11-6-15-10(5-14)12(13)17-11/h6,9H,2-4,7H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyAMBAKWQNKMVYKL-SECBINFHSA-N
MW279.73 g/mol
LogP1.11
Rot. Bonds2

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

N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide (PubChem CID 118146345) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
PubChem CID118146345
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C12H14ClN5O/c1-8(19)16-9-3-2-4-18(7-9)11-6-15-10(5-14)12(13)17-11/h6,9H,2-4,7H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyAMBAKWQNKMVYKL-SECBINFHSA-N
XLogP1.11
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 118114798
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
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
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
CID 71996611
tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate
CID 156749944

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide (CID 118146345) is N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)C1.
What is the InChIKey of N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is AMBAKWQNKMVYKL-SECBINFHSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8(19)16-9-3-2-4-18(7-9)11-6-15-10(5-14)12(13)17-11/h6,9H,2-4,7H2,1H3,(H,16,19)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide?
N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 279.73 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 118146345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).