2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C19H23N3O2 — CID 53137633

IUPAC2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(c2ccnc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C19H23N3O2/c1-14-5-7-15(8-6-14)19-20-10-9-17(21-19)16-4-3-11-22(12-16)18(23)13-24-2/h5-10,16H,3-4,11-13H2,1-2H3
InChIKeyXWCGZABNKQBDKW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.80
Rot. Bonds4

About 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 53137633) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID53137633
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(c2ccnc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C19H23N3O2/c1-14-5-7-15(8-6-14)19-20-10-9-17(21-19)16-4-3-11-22(12-16)18(23)13-24-2/h5-10,16H,3-4,11-13H2,1-2H3
InChIKeyXWCGZABNKQBDKW-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 53137633) is 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCCC(c2ccnc(-c3ccc(C)cc3)n2)C1.
What is the InChIKey of 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is XWCGZABNKQBDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-7-15(8-6-14)19-20-10-9-17(21-19)16-4-3-11-22(12-16)18(23)13-24-2/h5-10,16H,3-4,11-13H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53137633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).