4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one

C17H28N4O — CID 136662065

IUPAC4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCC(C)CN1CCC(NC2CC(c3cc(=O)[nH]cn3)C2)CC1
InChIInChI=1S/C17H28N4O/c1-12(2)10-21-5-3-14(4-6-21)20-15-7-13(8-15)16-9-17(22)19-11-18-16/h9,11-15,20H,3-8,10H2,1-2H3,(H,18,19,22)
InChIKeyOCDOQRJOTYPBMY-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.73
Rot. Bonds5

About 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one

4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one (PubChem CID 136662065) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one
PubChem CID136662065
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCC(C)CN1CCC(NC2CC(c3cc(=O)[nH]cn3)C2)CC1
InChIInChI=1S/C17H28N4O/c1-12(2)10-21-5-3-14(4-6-21)20-15-7-13(8-15)16-9-17(22)19-11-18-16/h9,11-15,20H,3-8,10H2,1-2H3,(H,18,19,22)
InChIKeyOCDOQRJOTYPBMY-UHFFFAOYSA-N
XLogP1.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one (CID 136662065) is 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one is CC(C)CN1CCC(NC2CC(c3cc(=O)[nH]cn3)C2)CC1.
What is the InChIKey of 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
The InChIKey is OCDOQRJOTYPBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)10-21-5-3-14(4-6-21)20-15-7-13(8-15)16-9-17(22)19-11-18-16/h9,11-15,20H,3-8,10H2,1-2H3,(H,18,19,22).
What are the key properties of 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one has a molecular weight of 304.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-(2-methylpropyl)piperidin-4-yl]amino]cyclobutyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).