4-(3-propoxypropanoyl)piperazin-2-one

C10H18N2O3 — CID 62848969

IUPAC4-(3-propoxypropanoyl)piperazin-2-one
SMILESCCCOCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O3/c1-2-6-15-7-3-10(14)12-5-4-11-9(13)8-12/h2-8H2,1H3,(H,11,13)
InChIKeyROUNRWXSUBAZLM-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.24
Rot. Bonds5

About 4-(3-propoxypropanoyl)piperazin-2-one

4-(3-propoxypropanoyl)piperazin-2-one (PubChem CID 62848969) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(3-propoxypropanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-propoxypropanoyl)piperazin-2-one
PubChem CID62848969
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(3-propoxypropanoyl)piperazin-2-one
SMILESCCCOCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O3/c1-2-6-15-7-3-10(14)12-5-4-11-9(13)8-12/h2-8H2,1H3,(H,11,13)
InChIKeyROUNRWXSUBAZLM-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
4-acetylpiperazin-2-one
CID 12744517
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928

Frequently Asked Questions

What is the IUPAC name of 4-(3-propoxypropanoyl)piperazin-2-one?
The IUPAC name of 4-(3-propoxypropanoyl)piperazin-2-one (CID 62848969) is 4-(3-propoxypropanoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-propoxypropanoyl)piperazin-2-one?
The canonical SMILES for 4-(3-propoxypropanoyl)piperazin-2-one is CCCOCCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(3-propoxypropanoyl)piperazin-2-one?
The InChIKey is ROUNRWXSUBAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-6-15-7-3-10(14)12-5-4-11-9(13)8-12/h2-8H2,1H3,(H,11,13).
What are the key properties of 4-(3-propoxypropanoyl)piperazin-2-one?
4-(3-propoxypropanoyl)piperazin-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypropanoyl)piperazin-2-one is sourced from PubChem (CID 62848969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).