tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane

C18H30ClN5O2 — CID 144858007

IUPACtert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
SMILESCC.CNC(=O)OC(C)(C)C.N#Cc1ncc(N2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN4.C6H13NO2.C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-6(2,3)9-5(8)7-4;1-2/h7H,1-5H2;1-4H3,(H,7,8);1-2H3
InChIKeyWQWBNGFFJWWYRI-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.16
Rot. Bonds1

About tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane

tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane (PubChem CID 144858007) has the molecular formula C18H30ClN5O2 and a molecular weight of 383.92 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane.

Molecular Properties

Compound Nametert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
PubChem CID144858007
Molecular FormulaC18H30ClN5O2
Molecular Weight383.92 g/mol
Exact Mass383.21
IUPAC Nametert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
SMILESCC.CNC(=O)OC(C)(C)C.N#Cc1ncc(N2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN4.C6H13NO2.C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-6(2,3)9-5(8)7-4;1-2/h7H,1-5H2;1-4H3,(H,7,8);1-2H3
InChIKeyWQWBNGFFJWWYRI-UHFFFAOYSA-N
XLogP4.16
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858058
3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide
CID 144858072
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
CID 144857934
3-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;1-methylpiperidine
CID 167668333
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
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 123632688
tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 142404155
tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[3-cyano-6-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]phenyl]piperidine-1-carboxylate;3-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 167661623
tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate;tert-butyl 4-[4-[[3-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)pyrazin-2-yl]methyl]phenyl]piperidine-1-carboxylate;ethyl 1-(6-chloro-5-cyanopyrazin-2-yl)piperidine-4-carboxylate
CID 167534102
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
The IUPAC name of tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane (CID 144858007) is tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane.
What is the SMILES notation for tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
The canonical SMILES for tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane is CC.CNC(=O)OC(C)(C)C.N#Cc1ncc(N2CCCCC2)nc1Cl.
What is the InChIKey of tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
The InChIKey is WQWBNGFFJWWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4.C6H13NO2.C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-6(2,3)9-5(8)7-4;1-2/h7H,1-5H2;1-4H3,(H,7,8);1-2H3.
What are the key properties of tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane has a molecular weight of 383.92 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane is sourced from PubChem (CID 144858007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).