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

C16H25N5O3 — CID 68575473

IUPAC(2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESCc1cnc(C)c(N2CCC(CCNC(=O)OCC(N)=O)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-11-9-19-12(2)15(20-11)21-7-4-13(5-8-21)3-6-18-16(23)24-10-14(17)22/h9,13H,3-8,10H2,1-2H3,(H2,17,22)(H,18,23)
InChIKeyYVRNZOMFGUMWSH-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.91
Rot. Bonds6

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

(2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate (PubChem CID 68575473) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate
PubChem CID68575473
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESCc1cnc(C)c(N2CCC(CCNC(=O)OCC(N)=O)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-11-9-19-12(2)15(20-11)21-7-4-13(5-8-21)3-6-18-16(23)24-10-14(17)22/h9,13H,3-8,10H2,1-2H3,(H2,17,22)(H,18,23)
InChIKeyYVRNZOMFGUMWSH-UHFFFAOYSA-N
XLogP0.91
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.91
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-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate (CID 68575473) is (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate is Cc1cnc(C)c(N2CCC(CCNC(=O)OCC(N)=O)CC2)n1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is YVRNZOMFGUMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11-9-19-12(2)15(20-11)21-7-4-13(5-8-21)3-6-18-16(23)24-10-14(17)22/h9,13H,3-8,10H2,1-2H3,(H2,17,22)(H,18,23).
What are the key properties of (2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate?
(2-amino-2-oxoethyl) N-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 335.41 g/mol, XLogP of 0.91, 6 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-[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 68575473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).