N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide

C13H24N4O2 — CID 18717753

IUPACN'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
SMILESCC(=O)CN1CCN(C)C(CCC/N=C(\C)N)C1=O
InChIInChI=1S/C13H24N4O2/c1-10(18)9-17-8-7-16(3)12(13(17)19)5-4-6-15-11(2)14/h12H,4-9H2,1-3H3,(H2,14,15)
InChIKeyJOAUBTKXRYILQE-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.12
Rot. Bonds6

About N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide

N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide (PubChem CID 18717753) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
PubChem CID18717753
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
SMILESCC(=O)CN1CCN(C)C(CCC/N=C(\C)N)C1=O
InChIInChI=1S/C13H24N4O2/c1-10(18)9-17-8-7-16(3)12(13(17)19)5-4-6-15-11(2)14/h12H,4-9H2,1-3H3,(H2,14,15)
InChIKeyJOAUBTKXRYILQE-UHFFFAOYSA-N
XLogP-0.12
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
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'}

Analyze N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide with MolForge

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Related Compounds

N-(4-Amino-5-oxo-5-piperidin-1-yl-pentyl)-guanidine
CID 20198196
H-Gly-Pip-Arg-CH2F
CID 154984624
Arginyl diketopiperazine
CID 129823348
2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine
CID 10354343
N'-(1-butanoylpiperidin-3-yl)ethanimidamide
CID 53767329
2-[3-[(2S)-1-methyl-3-oxopiperazin-2-yl]propyl]guanidine
CID 57940084
(2R,5S)-N-butyl-5-[3-(diaminomethylideneamino)propyl]-4-methyl-6-oxopiperazine-2-carboxamide
CID 57940100
2-[3-[(2S,5R)-5-acetyl-1-cyclobutyl-3-oxopiperazin-2-yl]propyl]guanidine
CID 57940129
2-[(2S,5S)-5-[3-(diaminomethylideneamino)propyl]-4-methyl-6-oxopiperazin-2-yl]acetamide
CID 57940138
2-[3-[(2S,5S)-1,5-dimethyl-3-oxopiperazin-2-yl]propyl]guanidine
CID 57940145
(2R,5S)-5-[3-(diaminomethylideneamino)propyl]-4-methyl-6-oxopiperazine-2-carboxamide
CID 57940150
2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine
CID 58488846

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
The IUPAC name of N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide (CID 18717753) is N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide.
What is the SMILES notation for N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
The canonical SMILES for N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide is CC(=O)CN1CCN(C)C(CCC/N=C(\C)N)C1=O.
What is the InChIKey of N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
The InChIKey is JOAUBTKXRYILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(18)9-17-8-7-16(3)12(13(17)19)5-4-6-15-11(2)14/h12H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide?
N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide has a molecular weight of 268.36 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 18717753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).