3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C23H27N3O3 — CID 2877336

IUPAC3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NC3CCN(Cc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-29-20-9-7-19(8-10-20)26-22(27)15-21(23(26)28)24-18-11-13-25(14-12-18)16-17-5-3-2-4-6-17/h2-10,18,21,24H,11-16H2,1H3
InChIKeyURNKVWVDUBLFNJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.58
Rot. Bonds6

About 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2877336) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2877336
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NC3CCN(Cc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-29-20-9-7-19(8-10-20)26-22(27)15-21(23(26)28)24-18-11-13-25(14-12-18)16-17-5-3-2-4-6-17/h2-10,18,21,24H,11-16H2,1H3
InChIKeyURNKVWVDUBLFNJ-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 2877336) is 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(NC3CCN(Cc4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is URNKVWVDUBLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-20-9-7-19(8-10-20)26-22(27)15-21(23(26)28)24-18-11-13-25(14-12-18)16-17-5-3-2-4-6-17/h2-10,18,21,24H,11-16H2,1H3.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 393.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).