6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one

C15H25N3O — CID 30322604

IUPAC6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCCCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C15H25N3O/c1-3-4-6-11-18-14(19)12-13(2)16-15(18)17-9-7-5-8-10-17/h12H,3-11H2,1-2H3
InChIKeyKSLSOMLLTBDIAM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds5

About 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one

6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 30322604) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one
PubChem CID30322604
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCCCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C15H25N3O/c1-3-4-6-11-18-14(19)12-13(2)16-15(18)17-9-7-5-8-10-17/h12H,3-11H2,1-2H3
InChIKeyKSLSOMLLTBDIAM-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one (CID 30322604) is 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one is CCCCCn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is KSLSOMLLTBDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-6-11-18-14(19)12-13(2)16-15(18)17-9-7-5-8-10-17/h12H,3-11H2,1-2H3.
What are the key properties of 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one?
6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pentyl-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 30322604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).