N-butyl-2-(3-oxopiperazin-2-yl)acetamide

C10H19N3O2 — CID 2955610

IUPACN-butyl-2-(3-oxopiperazin-2-yl)acetamide
SMILESCCCCNC(=O)CC1NCCNC1=O
InChIInChI=1S/C10H19N3O2/c1-2-3-4-12-9(14)7-8-10(15)13-6-5-11-8/h8,11H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyOCGIXJZNNNXXAZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.62
Rot. Bonds5

About N-butyl-2-(3-oxopiperazin-2-yl)acetamide

N-butyl-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2955610) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-butyl-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2955610
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-butyl-2-(3-oxopiperazin-2-yl)acetamide
SMILESCCCCNC(=O)CC1NCCNC1=O
InChIInChI=1S/C10H19N3O2/c1-2-3-4-12-9(14)7-8-10(15)13-6-5-11-8/h8,11H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyOCGIXJZNNNXXAZ-UHFFFAOYSA-N
XLogP-0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-butyl-2-(3-oxopiperazin-2-yl)acetamide (CID 2955610) is N-butyl-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-oxopiperazin-2-yl)acetamide is CCCCNC(=O)CC1NCCNC1=O.
What is the InChIKey of N-butyl-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is OCGIXJZNNNXXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-3-4-12-9(14)7-8-10(15)13-6-5-11-8/h8,11H,2-7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-butyl-2-(3-oxopiperazin-2-yl)acetamide?
N-butyl-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 213.28 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2955610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).