(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one

C23H26N2O3 — CID 124755909

IUPAC(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
SMILESCC(=O)c1ccc(N2CCOCC2)c(C[C@H]2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C23H26N2O3/c1-17(26)19-7-8-22(24-9-11-28-12-10-24)20(15-19)13-18-14-23(27)25(16-18)21-5-3-2-4-6-21/h2-8,15,18H,9-14,16H2,1H3/t18-/m0/s1
InChIKeyRKCNWPZLEDWUOB-SFHVURJKSA-N
MW378.47 g/mol
LogP3.32
Rot. Bonds5

About (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one

(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one (PubChem CID 124755909) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
PubChem CID124755909
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
SMILESCC(=O)c1ccc(N2CCOCC2)c(C[C@H]2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C23H26N2O3/c1-17(26)19-7-8-22(24-9-11-28-12-10-24)20(15-19)13-18-14-23(27)25(16-18)21-5-3-2-4-6-21/h2-8,15,18H,9-14,16H2,1H3/t18-/m0/s1
InChIKeyRKCNWPZLEDWUOB-SFHVURJKSA-N
XLogP3.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
CID 97186886
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 55611581
4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918301
4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168505583
1-(3-methyl-4-morpholin-4-ylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670404
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168509079
1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 91790354
1-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913342
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122353699

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one (CID 124755909) is (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one is CC(=O)c1ccc(N2CCOCC2)c(C[C@H]2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is RKCNWPZLEDWUOB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17(26)19-7-8-22(24-9-11-28-12-10-24)20(15-19)13-18-14-23(27)25(16-18)21-5-3-2-4-6-21/h2-8,15,18H,9-14,16H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 124755909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).