2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one

C18H31N3O — CID 135644674

IUPAC2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(C)nc(N2CC(C)CC(C)C2)[nH]c1=O
InChIInChI=1S/C18H31N3O/c1-5-6-7-8-9-16-15(4)19-18(20-17(16)22)21-11-13(2)10-14(3)12-21/h13-14H,5-12H2,1-4H3,(H,19,20,22)
InChIKeyUOFFHNRHOYVQKV-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.68
Rot. Bonds6

About 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one

2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135644674) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135644674
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(C)nc(N2CC(C)CC(C)C2)[nH]c1=O
InChIInChI=1S/C18H31N3O/c1-5-6-7-8-9-16-15(4)19-18(20-17(16)22)21-11-13(2)10-14(3)12-21/h13-14H,5-12H2,1-4H3,(H,19,20,22)
InChIKeyUOFFHNRHOYVQKV-UHFFFAOYSA-N
XLogP3.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.68
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 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one (CID 135644674) is 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one is CCCCCCc1c(C)nc(N2CC(C)CC(C)C2)[nH]c1=O.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UOFFHNRHOYVQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-5-6-7-8-9-16-15(4)19-18(20-17(16)22)21-11-13(2)10-14(3)12-21/h13-14H,5-12H2,1-4H3,(H,19,20,22).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 305.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135644674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).