N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide

C12H24N4O — CID 167084900

IUPACN-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide
SMILESCCC/N=C(\NC(=O)CC)N1CCN(C)CC1
InChIInChI=1S/C12H24N4O/c1-4-6-13-12(14-11(17)5-2)16-9-7-15(3)8-10-16/h4-10H2,1-3H3,(H,13,14,17)
InChIKeyILSSXDFBTAKBAB-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.53
Rot. Bonds3

About N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide

N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide (PubChem CID 167084900) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide.

Molecular Properties

Compound NameN-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide
PubChem CID167084900
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide
SMILESCCC/N=C(\NC(=O)CC)N1CCN(C)CC1
InChIInChI=1S/C12H24N4O/c1-4-6-13-12(14-11(17)5-2)16-9-7-15(3)8-10-16/h4-10H2,1-3H3,(H,13,14,17)
InChIKeyILSSXDFBTAKBAB-UHFFFAOYSA-N
XLogP0.53
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
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
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
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
1-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 90791666
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
N-[N'-[2-[ethyl(methyl)amino]ethyl]carbamimidoyl]acetamide
CID 118617428
N-(C-piperazin-1-yl-N-propylcarbonimidoyl)propanamide
CID 122608808
N-(4-methylpiperazine-1-carboximidoyl)acetamide
CID 173615116

Frequently Asked Questions

What is the IUPAC name of N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide?
The IUPAC name of N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide (CID 167084900) is N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide.
What is the SMILES notation for N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide?
The canonical SMILES for N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide is CCC/N=C(\NC(=O)CC)N1CCN(C)CC1.
What is the InChIKey of N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide?
The InChIKey is ILSSXDFBTAKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-6-13-12(14-11(17)5-2)16-9-7-15(3)8-10-16/h4-10H2,1-3H3,(H,13,14,17).
What are the key properties of N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide?
N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(4-methylpiperazin-1-yl)-N-propylcarbonimidoyl]propanamide is sourced from PubChem (CID 167084900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).