6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid

C10H16N2O4 — CID 43447158

IUPAC6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H16N2O4/c13-8-7-12(6-5-11-8)9(14)3-1-2-4-10(15)16/h1-7H2,(H,11,13)(H,15,16)
InChIKeyUGLRJLPCFKLELG-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.41
Rot. Bonds5

About 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid

6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid (PubChem CID 43447158) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
PubChem CID43447158
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H16N2O4/c13-8-7-12(6-5-11-8)9(14)3-1-2-4-10(15)16/h1-7H2,(H,11,13)(H,15,16)
InChIKeyUGLRJLPCFKLELG-UHFFFAOYSA-N
XLogP-0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-(3-propoxypropanoyl)piperazin-2-one
CID 62848969
5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363801
3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
CID 24700108
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
4-(4-phenoxybutanoyl)-1,4-diazepan-2-one
CID 29257758

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid?
The IUPAC name of 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid (CID 43447158) is 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid?
The canonical SMILES for 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid is O=C(O)CCCCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid?
The InChIKey is UGLRJLPCFKLELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8-7-12(6-5-11-8)9(14)3-1-2-4-10(15)16/h1-7H2,(H,11,13)(H,15,16).
What are the key properties of 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid?
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid is sourced from PubChem (CID 43447158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).