(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H25N3O3 — CID 8713514

IUPAC(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C22H25N3O3/c1-28-20-10-6-5-9-19(20)25-16-17(15-21(25)26)22(27)24-13-11-23(12-14-24)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/t17-/m1/s1
InChIKeyYPIRCNUVMUMWEF-QGZVFWFLSA-N
MW379.46 g/mol
LogP2.40
Rot. Bonds4

About (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 8713514) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID8713514
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C22H25N3O3/c1-28-20-10-6-5-9-19(20)25-16-17(15-21(25)26)22(27)24-13-11-23(12-14-24)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/t17-/m1/s1
InChIKeyYPIRCNUVMUMWEF-QGZVFWFLSA-N
XLogP2.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 8713514) is (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is COc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YPIRCNUVMUMWEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-20-10-6-5-9-19(20)25-16-17(15-21(25)26)22(27)24-13-11-23(12-14-24)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 8713514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).