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

C24H28N4O4 — CID 136816113

IUPAC4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O4/c1-30-20-11-16(12-21(31-2)23(20)32-3)15-28-9-6-17(7-10-28)24-26-19(13-22(29)27-24)18-5-4-8-25-14-18/h4-5,8,11-14,17H,6-7,9-10,15H2,1-3H3,(H,26,27,29)
InChIKeyXBSHZNHYSPMXSN-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.24
Rot. Bonds7

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

4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136816113) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136816113
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O4/c1-30-20-11-16(12-21(31-2)23(20)32-3)15-28-9-6-17(7-10-28)24-26-19(13-22(29)27-24)18-5-4-8-25-14-18/h4-5,8,11-14,17H,6-7,9-10,15H2,1-3H3,(H,26,27,29)
InChIKeyXBSHZNHYSPMXSN-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 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136797457
4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881578
2-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136869698
4-[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673456
2-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136891299
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681607
2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816133
2-[(3S)-1-[2-(2,6-dimethoxyphenoxy)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850440
4-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136765574
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
CID 136881730
2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136765588

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 136816113) is 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one is COc1cc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is XBSHZNHYSPMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-20-11-16(12-21(31-2)23(20)32-3)15-28-9-6-17(7-10-28)24-26-19(13-22(29)27-24)18-5-4-8-25-14-18/h4-5,8,11-14,17H,6-7,9-10,15H2,1-3H3,(H,26,27,29).
What are the key properties of 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
4-pyridin-3-yl-2-[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 4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136816113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).