5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide

C11H21N5O2 — CID 59185287

IUPAC5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide
SMILESCNC(=O)C1CNC(CCC/N=C(\C)N)C(=O)N1
InChIInChI=1S/C11H21N5O2/c1-7(12)14-5-3-4-8-11(18)16-9(6-15-8)10(17)13-2/h8-9,15H,3-6H2,1-2H3,(H2,12,14)(H,13,17)(H,16,18)
InChIKeyJBMYJLFZDHQQHN-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.65
Rot. Bonds5

About 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide

5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide (PubChem CID 59185287) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide
PubChem CID59185287
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide
SMILESCNC(=O)C1CNC(CCC/N=C(\C)N)C(=O)N1
InChIInChI=1S/C11H21N5O2/c1-7(12)14-5-3-4-8-11(18)16-9(6-15-8)10(17)13-2/h8-9,15H,3-6H2,1-2H3,(H2,12,14)(H,13,17)(H,16,18)
InChIKeyJBMYJLFZDHQQHN-UHFFFAOYSA-N
XLogP-1.65
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide (CID 59185287) is 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide is CNC(=O)C1CNC(CCC/N=C(\C)N)C(=O)N1.
What is the InChIKey of 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide?
The InChIKey is JBMYJLFZDHQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(12)14-5-3-4-8-11(18)16-9(6-15-8)10(17)13-2/h8-9,15H,3-6H2,1-2H3,(H2,12,14)(H,13,17)(H,16,18).
What are the key properties of 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide?
5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 59185287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).