N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide

C13H24N4O2 — CID 58488894

IUPACN'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide
SMILESCCC(=O)C1CN(C)C(CCC/N=C(\C)N)C(=O)N1
InChIInChI=1S/C13H24N4O2/c1-4-12(18)10-8-17(3)11(13(19)16-10)6-5-7-15-9(2)14/h10-11H,4-8H2,1-3H3,(H2,14,15)(H,16,19)
InChIKeyYEKAUKLODSWBHC-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.08
Rot. Bonds6

About N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide

N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide (PubChem CID 58488894) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide
PubChem CID58488894
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide
SMILESCCC(=O)C1CN(C)C(CCC/N=C(\C)N)C(=O)N1
InChIInChI=1S/C13H24N4O2/c1-4-12(18)10-8-17(3)11(13(19)16-10)6-5-7-15-9(2)14/h10-11H,4-8H2,1-3H3,(H2,14,15)(H,16,19)
InChIKeyYEKAUKLODSWBHC-UHFFFAOYSA-N
XLogP-0.08
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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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Related Compounds

Cyclo(arginylglycyl)
CID 188269
2-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]acetamide
CID 137349924
H-Gly-Pip-Arg-CH2F
CID 154984624
Arginyl diketopiperazine
CID 129823348
2-[3-[5-[3-(Diaminomethylideneamino)propyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
CID 10018406
N,1-dibutyl-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxopiperazine-2-carboxamide
CID 18338767
N-butyl-5-[3-(diaminomethylideneamino)propyl]-1-hexyl-3,6-dioxopiperazine-2-carboxamide
CID 18338831
N-butyl-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxo-1-propylpiperazine-2-carboxamide
CID 18338832
(2R,5S)-4-cyclopropyl-5-[3-(diaminomethylideneamino)propyl]-6-oxopiperazine-2-carboxamide
CID 57940072
(2S,5R)-4-cyclopropyl-5-[3-(diaminomethylideneamino)propyl]-6-oxopiperazine-2-carboxamide
CID 57940074
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

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide?
The IUPAC name of N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide (CID 58488894) is N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide.
What is the SMILES notation for N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide?
The canonical SMILES for N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide is CCC(=O)C1CN(C)C(CCC/N=C(\C)N)C(=O)N1.
What is the InChIKey of N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide?
The InChIKey is YEKAUKLODSWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-12(18)10-8-17(3)11(13(19)16-10)6-5-7-15-9(2)14/h10-11H,4-8H2,1-3H3,(H2,14,15)(H,16,19).
What are the key properties of N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide?
N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide has a molecular weight of 268.36 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide is sourced from PubChem (CID 58488894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).