(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide

C16H25N5O3 — CID 129476122

IUPAC(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
SMILESCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1
InChIInChI=1S/C16H25N5O3/c1-19-8-9-24-13(11-19)15(22)18-12-4-3-6-21(10-12)14-16(23)20(2)7-5-17-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,18,22)/t12-,13-/m1/s1
InChIKeyNWCPJFYPZMVDJX-CHWSQXEVSA-N
MW335.41 g/mol
LogP-0.80
Rot. Bonds3

About (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide

(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide (PubChem CID 129476122) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
PubChem CID129476122
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
SMILESCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1
InChIInChI=1S/C16H25N5O3/c1-19-8-9-24-13(11-19)15(22)18-12-4-3-6-21(10-12)14-16(23)20(2)7-5-17-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,18,22)/t12-,13-/m1/s1
InChIKeyNWCPJFYPZMVDJX-CHWSQXEVSA-N
XLogP-0.80
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide (CID 129476122) is (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide is CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1.
What is the InChIKey of (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide?
The InChIKey is NWCPJFYPZMVDJX-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19-8-9-24-13(11-19)15(22)18-12-4-3-6-21(10-12)14-16(23)20(2)7-5-17-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,18,22)/t12-,13-/m1/s1.
What are the key properties of (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide?
(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 129476122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).