4-(aminomethyl)piperazin-2-one

C5H11N3O — CID 170083985

IUPAC4-(aminomethyl)piperazin-2-one
SMILESNCN1CCNC(=O)C1
InChIInChI=1S/C5H11N3O/c6-4-8-2-1-7-5(9)3-8/h1-4,6H2,(H,7,9)
InChIKeyZWSRTZQIAQRZIT-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.67
Rot. Bonds1

About 4-(aminomethyl)piperazin-2-one

4-(aminomethyl)piperazin-2-one (PubChem CID 170083985) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-(aminomethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)piperazin-2-one
PubChem CID170083985
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-(aminomethyl)piperazin-2-one
SMILESNCN1CCNC(=O)C1
InChIInChI=1S/C5H11N3O/c6-4-8-2-1-7-5(9)3-8/h1-4,6H2,(H,7,9)
InChIKeyZWSRTZQIAQRZIT-UHFFFAOYSA-N
XLogP-1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-[(1-methylcyclopropyl)methyl]piperazin-2-one
CID 130831729
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
CID 82507792
4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
CID 82507803

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)piperazin-2-one?
The IUPAC name of 4-(aminomethyl)piperazin-2-one (CID 170083985) is 4-(aminomethyl)piperazin-2-one.
What is the SMILES notation for 4-(aminomethyl)piperazin-2-one?
The canonical SMILES for 4-(aminomethyl)piperazin-2-one is NCN1CCNC(=O)C1.
What is the InChIKey of 4-(aminomethyl)piperazin-2-one?
The InChIKey is ZWSRTZQIAQRZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-4-8-2-1-7-5(9)3-8/h1-4,6H2,(H,7,9).
What are the key properties of 4-(aminomethyl)piperazin-2-one?
4-(aminomethyl)piperazin-2-one has a molecular weight of 129.16 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)piperazin-2-one is sourced from PubChem (CID 170083985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).