2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C17H26N4O2 — CID 70759306

IUPAC2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(c2cc(N3CCCC3)nc(C)n2)C1
InChIInChI=1S/C17H26N4O2/c1-13-18-15(10-16(19-13)20-7-3-4-8-20)14-6-5-9-21(11-14)17(22)12-23-2/h10,14H,3-9,11-12H2,1-2H3
InChIKeySZWUZIOFXKCWNW-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds4

About 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 70759306) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID70759306
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(c2cc(N3CCCC3)nc(C)n2)C1
InChIInChI=1S/C17H26N4O2/c1-13-18-15(10-16(19-13)20-7-3-4-8-20)14-6-5-9-21(11-14)17(22)12-23-2/h10,14H,3-9,11-12H2,1-2H3
InChIKeySZWUZIOFXKCWNW-UHFFFAOYSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 70759306) is 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCCC(c2cc(N3CCCC3)nc(C)n2)C1.
What is the InChIKey of 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is SZWUZIOFXKCWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-18-15(10-16(19-13)20-7-3-4-8-20)14-6-5-9-21(11-14)17(22)12-23-2/h10,14H,3-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).