1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C16H24N4O2 — CID 70785231

IUPAC1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCOc1cnc(N2CCC(CCN3CCCC3=O)CC2)nc1
InChIInChI=1S/C16H24N4O2/c1-22-14-11-17-16(18-12-14)20-9-5-13(6-10-20)4-8-19-7-2-3-15(19)21/h11-13H,2-10H2,1H3
InChIKeyVIIFTFBFJFEFNJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds5

About 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70785231) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70785231
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCOc1cnc(N2CCC(CCN3CCCC3=O)CC2)nc1
InChIInChI=1S/C16H24N4O2/c1-22-14-11-17-16(18-12-14)20-9-5-13(6-10-20)4-8-19-7-2-3-15(19)21/h11-13H,2-10H2,1H3
InChIKeyVIIFTFBFJFEFNJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70785231) is 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is COc1cnc(N2CCC(CCN3CCCC3=O)CC2)nc1.
What is the InChIKey of 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is VIIFTFBFJFEFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-22-14-11-17-16(18-12-14)20-9-5-13(6-10-20)4-8-19-7-2-3-15(19)21/h11-13H,2-10H2,1H3.
What are the key properties of 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70785231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).