(2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate

C15H23N5O3 — CID 68575472

IUPAC(2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1cnc(C)c(N2CCC(CNC(=O)OCC(N)=O)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-10-7-17-11(2)14(19-10)20-5-3-12(4-6-20)8-18-15(22)23-9-13(16)21/h7,12H,3-6,8-9H2,1-2H3,(H2,16,21)(H,18,22)
InChIKeySICCPDBHCWHMKJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.52
Rot. Bonds5

About (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate

(2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 68575472) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
PubChem CID68575472
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1cnc(C)c(N2CCC(CNC(=O)OCC(N)=O)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-10-7-17-11(2)14(19-10)20-5-3-12(4-6-20)8-18-15(22)23-9-13(16)21/h7,12H,3-6,8-9H2,1-2H3,(H2,16,21)(H,18,22)
InChIKeySICCPDBHCWHMKJ-UHFFFAOYSA-N
XLogP0.52
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate (CID 68575472) is (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate is Cc1cnc(C)c(N2CCC(CNC(=O)OCC(N)=O)CC2)n1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is SICCPDBHCWHMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-7-17-11(2)14(19-10)20-5-3-12(4-6-20)8-18-15(22)23-9-13(16)21/h7,12H,3-6,8-9H2,1-2H3,(H2,16,21)(H,18,22).
What are the key properties of (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
(2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 68575472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).