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

C23H27N3O3 — CID 51724484

IUPAC(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-24-12-13-25(21(16-24)17-6-4-3-5-7-17)23(28)18-14-22(27)26(15-18)19-8-10-20(29-2)11-9-19/h3-11,18,21H,12-16H2,1-2H3/t18-,21+/m1/s1
InChIKeyLVUJVPPZPWRGND-NQIIRXRSSA-N
MW393.49 g/mol
LogP2.56
Rot. Bonds4

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

(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 51724484) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID51724484
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-24-12-13-25(21(16-24)17-6-4-3-5-7-17)23(28)18-14-22(27)26(15-18)19-8-10-20(29-2)11-9-19/h3-11,18,21H,12-16H2,1-2H3/t18-,21+/m1/s1
InChIKeyLVUJVPPZPWRGND-NQIIRXRSSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160
1-(4-methoxyphenyl)-4-(2-phenyl-1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
CID 122329175
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
methyl (3R)-2-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 51936260
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120570055
(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92596147

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 51724484) is (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2C[C@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is LVUJVPPZPWRGND-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-24-12-13-25(21(16-24)17-6-4-3-5-7-17)23(28)18-14-22(27)26(15-18)19-8-10-20(29-2)11-9-19/h3-11,18,21H,12-16H2,1-2H3/t18-,21+/m1/s1.
What are the key properties of (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 51724484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).