1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea

C12H15ClN6O — CID 144857934

IUPAC1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
SMILESCNC(=O)NC1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C12H15ClN6O/c1-15-12(20)17-8-3-2-4-19(7-8)10-6-16-9(5-14)11(13)18-10/h6,8H,2-4,7H2,1H3,(H2,15,17,20)
InChIKeyGBKAXKKZRVJYHN-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.90
Rot. Bonds2

About 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea

1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea (PubChem CID 144857934) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
PubChem CID144857934
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
SMILESCNC(=O)NC1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C12H15ClN6O/c1-15-12(20)17-8-3-2-4-19(7-8)10-6-16-9(5-14)11(13)18-10/h6,8H,2-4,7H2,1H3,(H2,15,17,20)
InChIKeyGBKAXKKZRVJYHN-UHFFFAOYSA-N
XLogP0.90
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.90
H-Bond Donors ≤ 52
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
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
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 118114798
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-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
CID 71996611
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
3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide
CID 144858072
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
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea?
The IUPAC name of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea (CID 144857934) is 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea?
The canonical SMILES for 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea is CNC(=O)NC1CCCN(c2cnc(C#N)c(Cl)n2)C1.
What is the InChIKey of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea?
The InChIKey is GBKAXKKZRVJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-15-12(20)17-8-3-2-4-19(7-8)10-6-16-9(5-14)11(13)18-10/h6,8H,2-4,7H2,1H3,(H2,15,17,20).
What are the key properties of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea?
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea has a molecular weight of 294.75 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea is sourced from PubChem (CID 144857934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).