5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide

C13H25N5O2 — CID 59185305

IUPAC5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide
SMILESCCN1CC(C(=O)NC)NC(=O)C1CCC/N=C(\C)N
InChIInChI=1S/C13H25N5O2/c1-4-18-8-10(12(19)15-3)17-13(20)11(18)6-5-7-16-9(2)14/h10-11H,4-8H2,1-3H3,(H2,14,16)(H,15,19)(H,17,20)
InChIKeyNOCCSUOFAADEET-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.92
Rot. Bonds6

About 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide

5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide (PubChem CID 59185305) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide
PubChem CID59185305
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide
SMILESCCN1CC(C(=O)NC)NC(=O)C1CCC/N=C(\C)N
InChIInChI=1S/C13H25N5O2/c1-4-18-8-10(12(19)15-3)17-13(20)11(18)6-5-7-16-9(2)14/h10-11H,4-8H2,1-3H3,(H2,14,16)(H,15,19)(H,17,20)
InChIKeyNOCCSUOFAADEET-UHFFFAOYSA-N
XLogP-0.92
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
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]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide (CID 59185305) is 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide is CCN1CC(C(=O)NC)NC(=O)C1CCC/N=C(\C)N.
What is the InChIKey of 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide?
The InChIKey is NOCCSUOFAADEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-18-8-10(12(19)15-3)17-13(20)11(18)6-5-7-16-9(2)14/h10-11H,4-8H2,1-3H3,(H2,14,16)(H,15,19)(H,17,20).
What are the key properties of 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide?
5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of -0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 59185305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).