1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione

C19H31N3O2 — CID 70490493

IUPAC1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione
SMILESC=CCC1(CC=C)CC(=O)N(CCCCN2CCNCC2)C(=O)C1
InChIInChI=1S/C19H31N3O2/c1-3-7-19(8-4-2)15-17(23)22(18(24)16-19)12-6-5-11-21-13-9-20-10-14-21/h3-4,20H,1-2,5-16H2
InChIKeyZLPUYYXVWFGQCD-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.96
Rot. Bonds9

About 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione

1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione (PubChem CID 70490493) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione
PubChem CID70490493
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione
SMILESC=CCC1(CC=C)CC(=O)N(CCCCN2CCNCC2)C(=O)C1
InChIInChI=1S/C19H31N3O2/c1-3-7-19(8-4-2)15-17(23)22(18(24)16-19)12-6-5-11-21-13-9-20-10-14-21/h3-4,20H,1-2,5-16H2
InChIKeyZLPUYYXVWFGQCD-UHFFFAOYSA-N
XLogP1.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione?
The IUPAC name of 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione (CID 70490493) is 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione is C=CCC1(CC=C)CC(=O)N(CCCCN2CCNCC2)C(=O)C1.
What is the InChIKey of 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione?
The InChIKey is ZLPUYYXVWFGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-7-19(8-4-2)15-17(23)22(18(24)16-19)12-6-5-11-21-13-9-20-10-14-21/h3-4,20H,1-2,5-16H2.
What are the key properties of 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione?
1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione has a molecular weight of 333.48 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylbutyl)-4,4-bis(prop-2-enyl)piperidine-2,6-dione is sourced from PubChem (CID 70490493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).