2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one

C24H28N4O4 — CID 136765588

IUPAC2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O4/c1-30-20-12-16(13-21(31-2)23(20)32-3)15-28-10-7-17(8-11-28)19-14-22(29)27-24(26-19)18-6-4-5-9-25-18/h4-6,9,12-14,17H,7-8,10-11,15H2,1-3H3,(H,26,27,29)
InChIKeyDLDSTXLQWZHGCH-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.24
Rot. Bonds7

About 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136765588) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136765588
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O4/c1-30-20-12-16(13-21(31-2)23(20)32-3)15-28-10-7-17(8-11-28)19-14-22(29)27-24(26-19)18-6-4-5-9-25-18/h4-6,9,12-14,17H,7-8,10-11,15H2,1-3H3,(H,26,27,29)
InChIKeyDLDSTXLQWZHGCH-UHFFFAOYSA-N
XLogP3.24
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797457
4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765591
4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765807
1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one
CID 136764000
4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673471
4-[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673456
4-[1-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765805
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
4-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673564
4-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765809
4-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858527

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 136765588) is 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one is COc1cc(CN2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is DLDSTXLQWZHGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-20-12-16(13-21(31-2)23(20)32-3)15-28-10-7-17(8-11-28)19-14-22(29)27-24(26-19)18-6-4-5-9-25-18/h4-6,9,12-14,17H,7-8,10-11,15H2,1-3H3,(H,26,27,29).
What are the key properties of 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 436.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136765588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).