4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

C18H21N3O3 — CID 110295412

IUPAC4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]c(=O)n2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-4-3-9-21(11-12)17(22)16-10-15(19-18(23)20-16)13-5-7-14(24-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,20,23)
InChIKeyLWGCZLMPMDMRKH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.32
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110295412) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110295412
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]c(=O)n2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-4-3-9-21(11-12)17(22)16-10-15(19-18(23)20-16)13-5-7-14(24-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,20,23)
InChIKeyLWGCZLMPMDMRKH-UHFFFAOYSA-N
XLogP2.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-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

4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20918150
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854053
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
CID 110295479
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 1094047
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 23744160
4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110295472

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110295412) is 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is COc1ccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is LWGCZLMPMDMRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-3-9-21(11-12)17(22)16-10-15(19-18(23)20-16)13-5-7-14(24-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,20,23).
What are the key properties of 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110295412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).