3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione

C26H34N4O4 — CID 4144237

IUPAC3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESCC1CCCN(C2CC(=O)N(c3ccc(N4C(=O)CC(N5CCCC(C)C5)C4=O)cc3)C2=O)C1
InChIInChI=1S/C26H34N4O4/c1-17-5-3-11-27(15-17)21-13-23(31)29(25(21)33)19-7-9-20(10-8-19)30-24(32)14-22(26(30)34)28-12-4-6-18(2)16-28/h7-10,17-18,21-22H,3-6,11-16H2,1-2H3
InChIKeyQOXWYWZVSKCHRI-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.41
Rot. Bonds4

About 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione

3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 4144237) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID4144237
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESCC1CCCN(C2CC(=O)N(c3ccc(N4C(=O)CC(N5CCCC(C)C5)C4=O)cc3)C2=O)C1
InChIInChI=1S/C26H34N4O4/c1-17-5-3-11-27(15-17)21-13-23(31)29(25(21)33)19-7-9-20(10-8-19)30-24(32)14-22(26(30)34)28-12-4-6-18(2)16-28/h7-10,17-18,21-22H,3-6,11-16H2,1-2H3
InChIKeyQOXWYWZVSKCHRI-UHFFFAOYSA-N
XLogP2.41
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione (CID 4144237) is 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione is CC1CCCN(C2CC(=O)N(c3ccc(N4C(=O)CC(N5CCCC(C)C5)C4=O)cc3)C2=O)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is QOXWYWZVSKCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-17-5-3-11-27(15-17)21-13-23(31)29(25(21)33)19-7-9-20(10-8-19)30-24(32)14-22(26(30)34)28-12-4-6-18(2)16-28/h7-10,17-18,21-22H,3-6,11-16H2,1-2H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 466.58 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4144237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).