N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide

C11H22N4O — CID 122608808

IUPACN-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
SMILESCCC/N=C(\NC(=O)CC)N1CCNCC1
InChIInChI=1S/C11H22N4O/c1-3-5-13-11(14-10(16)4-2)15-8-6-12-7-9-15/h12H,3-9H2,1-2H3,(H,13,14,16)
InChIKeyUWAQTCYHJSNHDG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.18
Rot. Bonds3

About N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide

N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide (PubChem CID 122608808) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide.

Molecular Properties

Compound NameN-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
PubChem CID122608808
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
SMILESCCC/N=C(\NC(=O)CC)N1CCNCC1
InChIInChI=1S/C11H22N4O/c1-3-5-13-11(14-10(16)4-2)15-8-6-12-7-9-15/h12H,3-9H2,1-2H3,(H,13,14,16)
InChIKeyUWAQTCYHJSNHDG-UHFFFAOYSA-N
XLogP0.18
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]propan-1-one
CID 53012068
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473413
3-[4-[N-(2,2-difluoroethyl)-N'-methylcarbamimidoyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 120066101
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 20715743
N-[piperazin-1-yl-(propanoylamino)methyl]propanamide
CID 54200666
1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 90791666
1-but-2-ynyl-2-piperazin-1-yl-4H-imidazol-5-one
CID 91438911
1-but-2-ynyl-4-methyl-2-piperazin-1-yl-4H-imidazol-5-one
CID 91609963
2-(4-Methylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
CID 118616873
2-(4-Ethylpiperazin-1-yl)-1,4-dihydroimidazol-5-one
CID 118617349
3-[[formamido-(4-methylpiperazin-1-yl)methylidene]amino]-N-methylpropanamide
CID 118617365

Frequently Asked Questions

What is the IUPAC name of N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide?
The IUPAC name of N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide (CID 122608808) is N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide.
What is the SMILES notation for N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide?
The canonical SMILES for N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide is CCC/N=C(\NC(=O)CC)N1CCNCC1.
What is the InChIKey of N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide?
The InChIKey is UWAQTCYHJSNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-3-5-13-11(14-10(16)4-2)15-8-6-12-7-9-15/h12H,3-9H2,1-2H3,(H,13,14,16).
What are the key properties of N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide?
N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide is sourced from PubChem (CID 122608808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).