5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one

C18H30N2O3 — CID 94960570

IUPAC5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
SMILESCC1CCN(Cc2cc(=O)c(O)cn2CCCOC(C)C)CC1
InChIInChI=1S/C18H30N2O3/c1-14(2)23-10-4-7-20-13-18(22)17(21)11-16(20)12-19-8-5-15(3)6-9-19/h11,13-15,22H,4-10,12H2,1-3H3
InChIKeyLBSOZVUXKXOLCU-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.60
Rot. Bonds7

About 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one

5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one (PubChem CID 94960570) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
PubChem CID94960570
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
SMILESCC1CCN(Cc2cc(=O)c(O)cn2CCCOC(C)C)CC1
InChIInChI=1S/C18H30N2O3/c1-14(2)23-10-4-7-20-13-18(22)17(21)11-16(20)12-19-8-5-15(3)6-9-19/h11,13-15,22H,4-10,12H2,1-3H3
InChIKeyLBSOZVUXKXOLCU-UHFFFAOYSA-N
XLogP2.60
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one (CID 94960570) is 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one is CC1CCN(Cc2cc(=O)c(O)cn2CCCOC(C)C)CC1.
What is the InChIKey of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one?
The InChIKey is LBSOZVUXKXOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(2)23-10-4-7-20-13-18(22)17(21)11-16(20)12-19-8-5-15(3)6-9-19/h11,13-15,22H,4-10,12H2,1-3H3.
What are the key properties of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one?
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one has a molecular weight of 322.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one is sourced from PubChem (CID 94960570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).