(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one

C24H27N3O4 — CID 42429759

IUPAC(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C[C@H]2C)c1
InChIInChI=1S/C24H27N3O4/c1-17-13-25(16-24(30)27(17)20-9-6-10-21(12-20)31-2)23(29)15-26-14-19(11-22(26)28)18-7-4-3-5-8-18/h3-10,12,17,19H,11,13-16H2,1-2H3/t17-,19-/m1/s1
InChIKeyNMIIUKZHXGDFSQ-IEBWSBKVSA-N
MW421.50 g/mol
LogP2.28
Rot. Bonds5

About (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one

(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one (PubChem CID 42429759) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
PubChem CID42429759
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C[C@H]2C)c1
InChIInChI=1S/C24H27N3O4/c1-17-13-25(16-24(30)27(17)20-9-6-10-21(12-20)31-2)23(29)15-26-14-19(11-22(26)28)18-7-4-3-5-8-18/h3-10,12,17,19H,11,13-16H2,1-2H3/t17-,19-/m1/s1
InChIKeyNMIIUKZHXGDFSQ-IEBWSBKVSA-N
XLogP2.28
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
CID 26401829
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075
(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 45199411
N-[(4-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 1237733
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
(4R)-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 124854698
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 91837974
(4R)-1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 26350124
1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 45212574
(4S)-1-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 26350127
(6R)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330751

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one?
The IUPAC name of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one (CID 42429759) is (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one.
What is the SMILES notation for (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one?
The canonical SMILES for (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one is COc1cccc(N2C(=O)CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C[C@H]2C)c1.
What is the InChIKey of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one?
The InChIKey is NMIIUKZHXGDFSQ-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17-13-25(16-24(30)27(17)20-9-6-10-21(12-20)31-2)23(29)15-26-14-19(11-22(26)28)18-7-4-3-5-8-18/h3-10,12,17,19H,11,13-16H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one?
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one has a molecular weight of 421.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 42429759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).