1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C27H29N5O4 — CID 122332539

IUPAC1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCN(c4cc(Oc5ccccc5)nc(C)n4)CC3)CC2=O)c1
InChIInChI=1S/C27H29N5O4/c1-19-28-24(17-25(29-19)36-22-8-4-3-5-9-22)30-11-13-31(14-12-30)27(34)20-15-26(33)32(18-20)21-7-6-10-23(16-21)35-2/h3-10,16-17,20H,11-15,18H2,1-2H3
InChIKeyJUKWSFQAQXXTSH-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.29
Rot. Bonds6

About 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122332539) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID122332539
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCN(c4cc(Oc5ccccc5)nc(C)n4)CC3)CC2=O)c1
InChIInChI=1S/C27H29N5O4/c1-19-28-24(17-25(29-19)36-22-8-4-3-5-9-22)30-11-13-31(14-12-30)27(34)20-15-26(33)32(18-20)21-7-6-10-23(16-21)35-2/h3-10,16-17,20H,11-15,18H2,1-2H3
InChIKeyJUKWSFQAQXXTSH-UHFFFAOYSA-N
XLogP3.29
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122332538
1-(4-fluorophenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332541
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122342387
1-(3,4-dimethylphenyl)-4-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332252
4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90506720
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122339233
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-(3-methoxyphenyl)-4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121146028
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 175650582
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 122332539) is 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CCN(c4cc(Oc5ccccc5)nc(C)n4)CC3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JUKWSFQAQXXTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-19-28-24(17-25(29-19)36-22-8-4-3-5-9-22)30-11-13-31(14-12-30)27(34)20-15-26(33)32(18-20)21-7-6-10-23(16-21)35-2/h3-10,16-17,20H,11-15,18H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 487.56 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122332539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).