5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one

C8H15N3O — CID 123753743

IUPAC5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)NCC(CCN)N1C
InChIInChI=1S/C8H15N3O/c1-6-8(12)10-5-7(3-4-9)11(6)2/h7H,1,3-5,9H2,2H3,(H,10,12)
InChIKeyTUUUWJBOEBQFGA-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.72
Rot. Bonds2

About 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one

5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one (PubChem CID 123753743) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one
PubChem CID123753743
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)NCC(CCN)N1C
InChIInChI=1S/C8H15N3O/c1-6-8(12)10-5-7(3-4-9)11(6)2/h7H,1,3-5,9H2,2H3,(H,10,12)
InChIKeyTUUUWJBOEBQFGA-UHFFFAOYSA-N
XLogP-0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-acetamido-N-propylprop-2-enamide
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Methylidenepiperazine-2-one
CID 67575125
N-(3-oxo-3-piperidin-1-ylprop-1-en-2-yl)acetamide
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(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione
CID 118189455
(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione
CID 134892545
Cyclo-(dehydroAla-l-Val)
CID 131192964
(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione
CID 10534880
2-(dimethylamino)-N-ethylprop-2-enamide
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CID 11506525

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one?
The IUPAC name of 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one (CID 123753743) is 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one is C=C1C(=O)NCC(CCN)N1C.
What is the InChIKey of 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one?
The InChIKey is TUUUWJBOEBQFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-8(12)10-5-7(3-4-9)11(6)2/h7H,1,3-5,9H2,2H3,(H,10,12).
What are the key properties of 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one?
5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-methyl-3-methylidenepiperazin-2-one is sourced from PubChem (CID 123753743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).