1-(9-bromononyl)-4-propylpiperazine-2,5-dione

C16H29BrN2O2 — CID 105343167

IUPAC1-(9-bromononyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCCCCCCCCBr)CC1=O
InChIInChI=1S/C16H29BrN2O2/c1-2-11-18-13-16(21)19(14-15(18)20)12-9-7-5-3-4-6-8-10-17/h2-14H2,1H3
InChIKeyTZYVGMLNMCMWNH-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.19
Rot. Bonds11

About 1-(9-bromononyl)-4-propylpiperazine-2,5-dione

1-(9-bromononyl)-4-propylpiperazine-2,5-dione (PubChem CID 105343167) has the molecular formula C16H29BrN2O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-(9-bromononyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(9-bromononyl)-4-propylpiperazine-2,5-dione
PubChem CID105343167
Molecular FormulaC16H29BrN2O2
Molecular Weight361.32 g/mol
Exact Mass360.14
IUPAC Name1-(9-bromononyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCCCCCCCCBr)CC1=O
InChIInChI=1S/C16H29BrN2O2/c1-2-11-18-13-16(21)19(14-15(18)20)12-9-7-5-3-4-6-8-10-17/h2-14H2,1H3
InChIKeyTZYVGMLNMCMWNH-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(9-bromononyl)-4-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromopentyl)-4-methylpiperazine-2,5-dione
CID 79936793
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-[3-(ethylamino)propyl]-4-propylpiperazine-2,5-dione
CID 79936044
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
CID 79942052
1-(5-chloropentyl)-4-ethylpiperazine-2,5-dione
CID 79937288
1-[2-(bromomethyl)butyl]-4-propylpiperazine-2,5-dione
CID 79936910
1-propyl-4-[5-(propylamino)hexyl]piperazine-2,5-dione
CID 79937270
1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
CID 79941384
4-(2,5-dioxo-4-propylpiperazin-1-yl)-3-methylbut-2-enoic acid
CID 79936010
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79936130

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-(9-bromononyl)-4-propylpiperazine-2,5-dione (CID 105343167) is 1-(9-bromononyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(9-bromononyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(9-bromononyl)-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CCCCCCCCCBr)CC1=O.
What is the InChIKey of 1-(9-bromononyl)-4-propylpiperazine-2,5-dione?
The InChIKey is TZYVGMLNMCMWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrN2O2/c1-2-11-18-13-16(21)19(14-15(18)20)12-9-7-5-3-4-6-8-10-17/h2-14H2,1H3.
What are the key properties of 1-(9-bromononyl)-4-propylpiperazine-2,5-dione?
1-(9-bromononyl)-4-propylpiperazine-2,5-dione has a molecular weight of 361.32 g/mol, XLogP of 3.19, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 105343167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).