(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C26H32N4O5 — CID 42441946

IUPAC(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@](CC(=O)N2CCN(c3cccc(C)n3)CC2)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C26H32N4O5/c1-19-6-4-9-22(27-19)28-10-12-29(13-11-28)23(31)17-26(20-7-5-8-21(16-20)35-3)18-24(32)30(25(26)33)14-15-34-2/h4-9,16H,10-15,17-18H2,1-3H3/t26-/m0/s1
InChIKeyQETRTCOJJDBVNJ-SANMLTNESA-N
MW480.57 g/mol
LogP1.78
Rot. Bonds8

About (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 42441946) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID42441946
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@](CC(=O)N2CCN(c3cccc(C)n3)CC2)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C26H32N4O5/c1-19-6-4-9-22(27-19)28-10-12-29(13-11-28)23(31)17-26(20-7-5-8-21(16-20)35-3)18-24(32)30(25(26)33)14-15-34-2/h4-9,16H,10-15,17-18H2,1-3H3/t26-/m0/s1
InChIKeyQETRTCOJJDBVNJ-SANMLTNESA-N
XLogP1.78
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 45193467
(3R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42464097
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 118756752
1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45203930
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 125161168
(3R)-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 29153220
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45198301
ethyl 4-[2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45230903
(3S)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 26278168
2-[1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118760256
(3R)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1-(3-methoxypropyl)-3-phenylpyrrolidine-2,5-dione
CID 42274081
(3R)-1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 42275647

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 42441946) is (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COCCN1C(=O)C[C@@](CC(=O)N2CCN(c3cccc(C)n3)CC2)(c2cccc(OC)c2)C1=O.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is QETRTCOJJDBVNJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H32N4O5/c1-19-6-4-9-22(27-19)28-10-12-29(13-11-28)23(31)17-26(20-7-5-8-21(16-20)35-3)18-24(32)30(25(26)33)14-15-34-2/h4-9,16H,10-15,17-18H2,1-3H3/t26-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 480.57 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42441946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).