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

C19H34ClN5O2 — CID 144858058

IUPACtert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
SMILESCC.CC.CC(C)(C)OC(N)=O.N#Cc1ncc(N2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN4.C5H11NO2.2C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-5(2,3)8-4(6)7;2*1-2/h7H,1-5H2;1-3H3,(H2,6,7);2*1-2H3
InChIKeyYGOBHXWNHNFMEM-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.92
Rot. Bonds1

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

tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane (PubChem CID 144858058) has the molecular formula C19H34ClN5O2 and a molecular weight of 399.97 g/mol. Its IUPAC name is tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane.

Molecular Properties

Compound Nametert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
PubChem CID144858058
Molecular FormulaC19H34ClN5O2
Molecular Weight399.97 g/mol
Exact Mass399.24
IUPAC Nametert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
SMILESCC.CC.CC(C)(C)OC(N)=O.N#Cc1ncc(N2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN4.C5H11NO2.2C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-5(2,3)8-4(6)7;2*1-2/h7H,1-5H2;1-3H3,(H2,6,7);2*1-2H3
InChIKeyYGOBHXWNHNFMEM-UHFFFAOYSA-N
XLogP4.92
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 144858007
3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane;4-methoxybenzamide
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3-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonitrile;3,5-dichloropyrazine-2-carbonitrile;1-methylpiperidine
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N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
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1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
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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
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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
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1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-3-methylurea
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N-[[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]methyl]acetamide
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tert-butyl 4-(3-cyanopyrazin-2-yl)-1,4-diazepane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
The IUPAC name of tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane (CID 144858058) is tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane.
What is the SMILES notation for tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
The canonical SMILES for tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane is CC.CC.CC(C)(C)OC(N)=O.N#Cc1ncc(N2CCCCC2)nc1Cl.
What is the InChIKey of tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
The InChIKey is YGOBHXWNHNFMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4.C5H11NO2.2C2H6/c11-10-8(6-12)13-7-9(14-10)15-4-2-1-3-5-15;1-5(2,3)8-4(6)7;2*1-2/h7H,1-5H2;1-3H3,(H2,6,7);2*1-2H3.
What are the key properties of tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane?
tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane has a molecular weight of 399.97 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane is sourced from PubChem (CID 144858058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).