3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

C21H28N4O2 — CID 126942798

IUPAC3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(CC2CCCOC2)CC1
InChIInChI=1S/C21H28N4O2/c26-21-12-20(19-3-7-22-8-4-19)23-16-25(21)14-17-5-9-24(10-6-17)13-18-2-1-11-27-15-18/h3-4,7-8,12,16-18H,1-2,5-6,9-11,13-15H2
InChIKeyWAPKIPPMMKXUAW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.44
Rot. Bonds5

About 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 126942798) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID126942798
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(CC2CCCOC2)CC1
InChIInChI=1S/C21H28N4O2/c26-21-12-20(19-3-7-22-8-4-19)23-16-25(21)14-17-5-9-24(10-6-17)13-18-2-1-11-27-15-18/h3-4,7-8,12,16-18H,1-2,5-6,9-11,13-15H2
InChIKeyWAPKIPPMMKXUAW-UHFFFAOYSA-N
XLogP2.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941866
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942767
N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126942500
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942699
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
6-pyridin-4-yl-3-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942667
6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942652
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942741

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (CID 126942798) is 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is O=c1cc(-c2ccncc2)ncn1CC1CCN(CC2CCCOC2)CC1.
What is the InChIKey of 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is WAPKIPPMMKXUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21-12-20(19-3-7-22-8-4-19)23-16-25(21)14-17-5-9-24(10-6-17)13-18-2-1-11-27-15-18/h3-4,7-8,12,16-18H,1-2,5-6,9-11,13-15H2.
What are the key properties of 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 368.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 126942798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).