N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide

C10H17N3O3 — CID 134028981

IUPACN-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-8(14)11-4-2-3-10(16)13-6-5-12-9(15)7-13/h2-7H2,1H3,(H,11,14)(H,12,15)
InChIKeyHYDCOHDTLOARCW-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.14
Rot. Bonds4

About N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide

N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide (PubChem CID 134028981) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
PubChem CID134028981
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H17N3O3/c1-8(14)11-4-2-3-10(16)13-6-5-12-9(15)7-13/h2-7H2,1H3,(H,11,14)(H,12,15)
InChIKeyHYDCOHDTLOARCW-UHFFFAOYSA-N
XLogP-1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.14
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

6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-acetylpiperazin-2-one
CID 12744517
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-(3-propoxypropanoyl)piperazin-2-one
CID 62848969
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
CID 47246051
1-(3,4-dimethylphenyl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione
CID 31097688

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide?
The IUPAC name of N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide (CID 134028981) is N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide?
The canonical SMILES for N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide is CC(=O)NCCCC(=O)N1CCNC(=O)C1.
What is the InChIKey of N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide?
The InChIKey is HYDCOHDTLOARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(14)11-4-2-3-10(16)13-6-5-12-9(15)7-13/h2-7H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide?
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide has a molecular weight of 227.26 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 134028981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).