tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate

C15H24N4O3 — CID 99817733

IUPACtert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
SMILESCn1ccnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)17-11-6-5-8-19(10-11)12-13(20)18(4)9-7-16-12/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,21)/t11-/m1/s1
InChIKeyYITGEVYAXAGEPY-LLVKDONJSA-N
MW308.38 g/mol
LogP1.27
Rot. Bonds2

About tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate (PubChem CID 99817733) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
PubChem CID99817733
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
SMILESCn1ccnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)17-11-6-5-8-19(10-11)12-13(20)18(4)9-7-16-12/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,21)/t11-/m1/s1
InChIKeyYITGEVYAXAGEPY-LLVKDONJSA-N
XLogP1.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate (CID 99817733) is tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate is Cn1ccnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1=O.
What is the InChIKey of tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
The InChIKey is YITGEVYAXAGEPY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)17-11-6-5-8-19(10-11)12-13(20)18(4)9-7-16-12/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,21)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 99817733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).