1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C18H25FN4O — CID 126899780

IUPAC1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C18H25FN4O/c19-10-13-8-18(24)23(11-13)15-4-6-22(7-5-15)17-9-16(20-12-21-17)14-2-1-3-14/h9,12-15H,1-8,10-11H2
InChIKeyQJAZLSIUKOYPAH-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899780) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899780
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C18H25FN4O/c19-10-13-8-18(24)23(11-13)15-4-6-22(7-5-15)17-9-16(20-12-21-17)14-2-1-3-14/h9,12-15H,1-8,10-11H2
InChIKeyQJAZLSIUKOYPAH-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899780) is 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2cc(C3CCC3)ncn2)CC1.
What is the InChIKey of 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is QJAZLSIUKOYPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c19-10-13-8-18(24)23(11-13)15-4-6-22(7-5-15)17-9-16(20-12-21-17)14-2-1-3-14/h9,12-15H,1-8,10-11H2.
What are the key properties of 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 332.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).