2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

C23H24N4O3 — CID 136816133

IUPAC2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CC(=O)N2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-30-19-6-4-16(5-7-19)13-22(29)27-11-8-17(9-12-27)23-25-20(14-21(28)26-23)18-3-2-10-24-15-18/h2-7,10,14-15,17H,8-9,11-13H2,1H3,(H,25,26,28)
InChIKeyOWTZEEGCNNWOGL-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136816133) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID136816133
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(CC(=O)N2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-30-19-6-4-16(5-7-19)13-22(29)27-11-8-17(9-12-27)23-25-20(14-21(28)26-23)18-3-2-10-24-15-18/h2-7,10,14-15,17H,8-9,11-13H2,1H3,(H,25,26,28)
InChIKeyOWTZEEGCNNWOGL-UHFFFAOYSA-N
XLogP2.79
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850813
2-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136869698
2-[(3S)-1-[2-(2,6-dimethoxyphenoxy)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850440
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681608
4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136816113
2-(4-methoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087835
4-(2-methoxy-3-pyridinyl)-2-[(3S)-1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136860843
2-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136891299
2-[(3S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673800
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816122
2-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136850226
2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881578

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 136816133) is 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is COc1ccc(CC(=O)N2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is OWTZEEGCNNWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-19-6-4-16(5-7-19)13-22(29)27-11-8-17(9-12-27)23-25-20(14-21(28)26-23)18-3-2-10-24-15-18/h2-7,10,14-15,17H,8-9,11-13H2,1H3,(H,25,26,28).
What are the key properties of 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 404.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136816133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).