4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one

C15H25N3O — CID 135399502

IUPAC4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCCCCCc1c(C)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O/c1-3-4-6-9-13-12(2)16-15(17-14(13)19)18-10-7-5-8-11-18/h3-11H2,1-2H3,(H,16,17,19)
InChIKeyDBAGYKDKPFJDEK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds5

About 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one

4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135399502) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135399502
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCCCCCc1c(C)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O/c1-3-4-6-9-13-12(2)16-15(17-14(13)19)18-10-7-5-8-11-18/h3-11H2,1-2H3,(H,16,17,19)
InChIKeyDBAGYKDKPFJDEK-UHFFFAOYSA-N
XLogP2.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135399502) is 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one is CCCCCc1c(C)nc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is DBAGYKDKPFJDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-6-9-13-12(2)16-15(17-14(13)19)18-10-7-5-8-11-18/h3-11H2,1-2H3,(H,16,17,19).
What are the key properties of 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentyl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135399502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).