1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one

C16H25N3O2 — CID 82218950

IUPAC1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
SMILESCN1CCC(N(C)Cc2cc(=O)c(O)cn2C2CC2)CC1
InChIInChI=1S/C16H25N3O2/c1-17-7-5-12(6-8-17)18(2)10-14-9-15(20)16(21)11-19(14)13-3-4-13/h9,11-13,21H,3-8,10H2,1-2H3
InChIKeyNQFOZHUUSSBVHS-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.41
Rot. Bonds4

About 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one

1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one (PubChem CID 82218950) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
PubChem CID82218950
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
SMILESCN1CCC(N(C)Cc2cc(=O)c(O)cn2C2CC2)CC1
InChIInChI=1S/C16H25N3O2/c1-17-7-5-12(6-8-17)18(2)10-14-9-15(20)16(21)11-19(14)13-3-4-13/h9,11-13,21H,3-8,10H2,1-2H3
InChIKeyNQFOZHUUSSBVHS-UHFFFAOYSA-N
XLogP1.41
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The IUPAC name of 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one (CID 82218950) is 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The canonical SMILES for 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one is CN1CCC(N(C)Cc2cc(=O)c(O)cn2C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
The InChIKey is NQFOZHUUSSBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17-7-5-12(6-8-17)18(2)10-14-9-15(20)16(21)11-19(14)13-3-4-13/h9,11-13,21H,3-8,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one?
1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one is sourced from PubChem (CID 82218950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).