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

C26H32ClN3O3 — CID 53328507

IUPAC4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C26H32ClN3O3/c1-33-24-7-3-2-6-23(24)29-16-14-28(15-17-29)12-4-5-13-30-25(31)18-21(19-26(30)32)20-8-10-22(27)11-9-20/h2-3,6-11,21H,4-5,12-19H2,1H3
InChIKeyQVYDXRNGKJCBFU-UHFFFAOYSA-N
MW470.01 g/mol
LogP4.18
Rot. Bonds8

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

4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione (PubChem CID 53328507) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione
PubChem CID53328507
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC Name4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1
InChIInChI=1S/C26H32ClN3O3/c1-33-24-7-3-2-6-23(24)29-16-14-28(15-17-29)12-4-5-13-30-25(31)18-21(19-26(30)32)20-8-10-22(27)11-9-20/h2-3,6-11,21H,4-5,12-19H2,1H3
InChIKeyQVYDXRNGKJCBFU-UHFFFAOYSA-N
XLogP4.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione (CID 53328507) is 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione is COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
The InChIKey is QVYDXRNGKJCBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-33-24-7-3-2-6-23(24)29-16-14-28(15-17-29)12-4-5-13-30-25(31)18-21(19-26(30)32)20-8-10-22(27)11-9-20/h2-3,6-11,21H,4-5,12-19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione?
4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione has a molecular weight of 470.01 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-dione is sourced from PubChem (CID 53328507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).