N-[2-(3-oxopiperazin-1-yl)ethyl]formamide

C7H13N3O2 — CID 87676983

IUPACN-[2-(3-oxopiperazin-1-yl)ethyl]formamide
SMILESO=CNCCN1CCNC(=O)C1
InChIInChI=1S/C7H13N3O2/c11-6-8-1-3-10-4-2-9-7(12)5-10/h6H,1-5H2,(H,8,11)(H,9,12)
InChIKeyQKAYFPIEFJBXEI-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.84
Rot. Bonds4

About N-[2-(3-oxopiperazin-1-yl)ethyl]formamide

N-[2-(3-oxopiperazin-1-yl)ethyl]formamide (PubChem CID 87676983) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[2-(3-oxopiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(3-oxopiperazin-1-yl)ethyl]formamide
PubChem CID87676983
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-[2-(3-oxopiperazin-1-yl)ethyl]formamide
SMILESO=CNCCN1CCNC(=O)C1
InChIInChI=1S/C7H13N3O2/c11-6-8-1-3-10-4-2-9-7(12)5-10/h6H,1-5H2,(H,8,11)(H,9,12)
InChIKeyQKAYFPIEFJBXEI-UHFFFAOYSA-N
XLogP-1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-oxopiperazin-1-yl)ethyl]formamide 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

4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-[2-(ethylamino)ethyl]-1,4-diazepan-2-one
CID 65360908
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
CID 71345985
4-(aminomethyl)piperazin-2-one
CID 170083985
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
4-[2-(tert-butylamino)ethyl]-1,4-diazepan-2-one
CID 107446484
4-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]piperazin-2-one
CID 120972059
4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 127798821

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxopiperazin-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(3-oxopiperazin-1-yl)ethyl]formamide (CID 87676983) is N-[2-(3-oxopiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(3-oxopiperazin-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(3-oxopiperazin-1-yl)ethyl]formamide is O=CNCCN1CCNC(=O)C1.
What is the InChIKey of N-[2-(3-oxopiperazin-1-yl)ethyl]formamide?
The InChIKey is QKAYFPIEFJBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c11-6-8-1-3-10-4-2-9-7(12)5-10/h6H,1-5H2,(H,8,11)(H,9,12).
What are the key properties of N-[2-(3-oxopiperazin-1-yl)ethyl]formamide?
N-[2-(3-oxopiperazin-1-yl)ethyl]formamide has a molecular weight of 171.20 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxopiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 87676983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).