4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one

C23H27N3O3 — CID 17120613

IUPAC4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(c3cccc(C)c3)C2)CC1
InChIInChI=1S/C23H27N3O3/c1-17-6-5-7-19(14-17)26-16-18(15-22(26)27)23(28)25-12-10-24(11-13-25)20-8-3-4-9-21(20)29-2/h3-9,14,18H,10-13,15-16H2,1-2H3
InChIKeyAUHSIMMURMMBSX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.71
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 17120613) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
PubChem CID17120613
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(c3cccc(C)c3)C2)CC1
InChIInChI=1S/C23H27N3O3/c1-17-6-5-7-19(14-17)26-16-18(15-22(26)27)23(28)25-12-10-24(11-13-25)20-8-3-4-9-21(20)29-2/h3-9,14,18H,10-13,15-16H2,1-2H3
InChIKeyAUHSIMMURMMBSX-UHFFFAOYSA-N
XLogP2.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
1-(3-chloro-4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17225425
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 17191849
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-2-one
CID 113192540
(2-methoxyphenyl) (3R)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057233
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one (CID 17120613) is 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one is COc1ccccc1N1CCN(C(=O)C2CC(=O)N(c3cccc(C)c3)C2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is AUHSIMMURMMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-6-5-7-19(14-17)26-16-18(15-22(26)27)23(28)25-12-10-24(11-13-25)20-8-3-4-9-21(20)29-2/h3-9,14,18H,10-13,15-16H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one?
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17120613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).