4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide

C18H22N4O3 — CID 129476714

IUPAC4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
SMILESCOCc1ccc(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-25-12-13-4-6-14(7-5-13)17(23)21-15-3-2-10-22(11-15)16-18(24)20-9-8-19-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeySGBFPMSJOLYQOY-OAHLLOKOSA-N
MW342.40 g/mol
LogP1.32
Rot. Bonds5

About 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide

4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide (PubChem CID 129476714) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
PubChem CID129476714
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
SMILESCOCc1ccc(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-25-12-13-4-6-14(7-5-13)17(23)21-15-3-2-10-22(11-15)16-18(24)20-9-8-19-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeySGBFPMSJOLYQOY-OAHLLOKOSA-N
XLogP1.32
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide (CID 129476714) is 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide is COCc1ccc(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
The InChIKey is SGBFPMSJOLYQOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-12-13-4-6-14(7-5-13)17(23)21-15-3-2-10-22(11-15)16-18(24)20-9-8-19-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 129476714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).