(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C24H32N2O4 — CID 42189708

IUPAC(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1cccc([C@@]2(CC(=O)N3CCC(C)CC3)CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C24H32N2O4/c1-17-10-12-25(13-11-17)21(27)15-24(18-6-5-9-20(14-18)30-2)16-22(28)26(23(24)29)19-7-3-4-8-19/h5-6,9,14,17,19H,3-4,7-8,10-13,15-16H2,1-2H3/t24-/m1/s1
InChIKeyJQANOTOKONHTGU-XMMPIXPASA-N
MW412.53 g/mol
LogP3.28
Rot. Bonds5

About (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 42189708) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID42189708
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCOc1cccc([C@@]2(CC(=O)N3CCC(C)CC3)CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C24H32N2O4/c1-17-10-12-25(13-11-17)21(27)15-24(18-6-5-9-20(14-18)30-2)16-22(28)26(23(24)29)19-7-3-4-8-19/h5-6,9,14,17,19H,3-4,7-8,10-13,15-16H2,1-2H3/t24-/m1/s1
InChIKeyJQANOTOKONHTGU-XMMPIXPASA-N
XLogP3.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 42189708) is (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is COc1cccc([C@@]2(CC(=O)N3CCC(C)CC3)CC(=O)N(C3CCCC3)C2=O)c1.
What is the InChIKey of (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is JQANOTOKONHTGU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17-10-12-25(13-11-17)21(27)15-24(18-6-5-9-20(14-18)30-2)16-22(28)26(23(24)29)19-7-3-4-8-19/h5-6,9,14,17,19H,3-4,7-8,10-13,15-16H2,1-2H3/t24-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 412.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-3-(3-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42189708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).