4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one

C15H22N4O2 — CID 136662274

IUPAC4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCC(=O)N1CCC(NC2CC(c3cc(=O)[nH]cn3)C2)CC1
InChIInChI=1S/C15H22N4O2/c1-10(20)19-4-2-12(3-5-19)18-13-6-11(7-13)14-8-15(21)17-9-16-14/h8-9,11-13,18H,2-7H2,1H3,(H,16,17,21)
InChIKeyDVJUUYQZEVGHMG-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.62
Rot. Bonds3

About 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one

4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one (PubChem CID 136662274) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
PubChem CID136662274
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCC(=O)N1CCC(NC2CC(c3cc(=O)[nH]cn3)C2)CC1
InChIInChI=1S/C15H22N4O2/c1-10(20)19-4-2-12(3-5-19)18-13-6-11(7-13)14-8-15(21)17-9-16-14/h8-9,11-13,18H,2-7H2,1H3,(H,16,17,21)
InChIKeyDVJUUYQZEVGHMG-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one (CID 136662274) is 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one is CC(=O)N1CCC(NC2CC(c3cc(=O)[nH]cn3)C2)CC1.
What is the InChIKey of 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
The InChIKey is DVJUUYQZEVGHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(20)19-4-2-12(3-5-19)18-13-6-11(7-13)14-8-15(21)17-9-16-14/h8-9,11-13,18H,2-7H2,1H3,(H,16,17,21).
What are the key properties of 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one?
4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).