4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione

C24H28ClN3O3 — CID 53328503

IUPAC4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C24H28ClN3O3/c1-31-22-5-3-2-4-21(22)27-13-10-26(11-14-27)12-15-28-23(29)16-19(17-24(28)30)18-6-8-20(25)9-7-18/h2-9,19H,10-17H2,1H3
InChIKeyMMECQTDYKMGZFE-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.40
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione

4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione (PubChem CID 53328503) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione
PubChem CID53328503
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C24H28ClN3O3/c1-31-22-5-3-2-4-21(22)27-13-10-26(11-14-27)12-15-28-23(29)16-19(17-24(28)30)18-6-8-20(25)9-7-18/h2-9,19H,10-17H2,1H3
InChIKeyMMECQTDYKMGZFE-UHFFFAOYSA-N
XLogP3.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione (CID 53328503) is 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione is COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione?
The InChIKey is MMECQTDYKMGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-31-22-5-3-2-4-21(22)27-13-10-26(11-14-27)12-15-28-23(29)16-19(17-24(28)30)18-6-8-20(25)9-7-18/h2-9,19H,10-17H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione?
4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione has a molecular weight of 441.96 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione is sourced from PubChem (CID 53328503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).