3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one

C18H29N3O2 — CID 71754436

IUPAC3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-19-15(13-20-8-4-2-5-9-20)12-17(22)18(23)16(19)14-21-10-6-3-7-11-21/h12,23H,2-11,13-14H2,1H3
InChIKeyQYEFMQHDYHFVOM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.06
Rot. Bonds4

About 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 71754436) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID71754436
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-19-15(13-20-8-4-2-5-9-20)12-17(22)18(23)16(19)14-21-10-6-3-7-11-21/h12,23H,2-11,13-14H2,1H3
InChIKeyQYEFMQHDYHFVOM-UHFFFAOYSA-N
XLogP2.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one (CID 71754436) is 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one is Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is QYEFMQHDYHFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-19-15(13-20-8-4-2-5-9-20)12-17(22)18(23)16(19)14-21-10-6-3-7-11-21/h12,23H,2-11,13-14H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 319.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 71754436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).