6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C15H23N3O2 — CID 121063502

IUPAC6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H23N3O2/c1-2-3-7-13-10-14(19)18(12-16-13)11-15(20)17-8-5-4-6-9-17/h10,12H,2-9,11H2,1H3
InChIKeyPAKBOJIOZSRLIZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.60
Rot. Bonds5

About 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 121063502) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID121063502
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCCCC2)cn1
InChIInChI=1S/C15H23N3O2/c1-2-3-7-13-10-14(19)18(12-16-13)11-15(20)17-8-5-4-6-9-17/h10,12H,2-9,11H2,1H3
InChIKeyPAKBOJIOZSRLIZ-UHFFFAOYSA-N
XLogP1.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 121063502) is 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is CCCCc1cc(=O)n(CC(=O)N2CCCCC2)cn1.
What is the InChIKey of 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is PAKBOJIOZSRLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-3-7-13-10-14(19)18(12-16-13)11-15(20)17-8-5-4-6-9-17/h10,12H,2-9,11H2,1H3.
What are the key properties of 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 121063502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).