1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione

C23H30N4O2 — CID 25093401

IUPAC1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
SMILESCC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CCCC1=O
InChIInChI=1S/C23H30N4O2/c1-18-17-26(21-12-11-19-7-2-3-8-20(19)24-21)16-15-25(18)13-4-5-14-27-22(28)9-6-10-23(27)29/h2-3,7-8,11-12,18H,4-6,9-10,13-17H2,1H3
InChIKeySKYIZGBNQOMMFP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.06
Rot. Bonds6

About 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione

1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione (PubChem CID 25093401) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
PubChem CID25093401
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
SMILESCC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CCCC1=O
InChIInChI=1S/C23H30N4O2/c1-18-17-26(21-12-11-19-7-2-3-8-20(19)24-21)16-15-25(18)13-4-5-14-27-22(28)9-6-10-23(27)29/h2-3,7-8,11-12,18H,4-6,9-10,13-17H2,1H3
InChIKeySKYIZGBNQOMMFP-UHFFFAOYSA-N
XLogP3.06
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.06
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 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione (CID 25093401) is 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione is CC1CN(c2ccc3ccccc3n2)CCN1CCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The InChIKey is SKYIZGBNQOMMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-17-26(21-12-11-19-7-2-3-8-20(19)24-21)16-15-25(18)13-4-5-14-27-22(28)9-6-10-23(27)29/h2-3,7-8,11-12,18H,4-6,9-10,13-17H2,1H3.
What are the key properties of 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione has a molecular weight of 394.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione is sourced from PubChem (CID 25093401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).