N-[piperazin-1-yl-(propanoylamino)methyl]propanamide

C11H22N4O2 — CID 54200666

IUPACN-[piperazin-1-yl-(propanoylamino)methyl]propanamide
SMILESCCC(=O)NC(NC(=O)CC)N1CCNCC1
InChIInChI=1S/C11H22N4O2/c1-3-9(16)13-11(14-10(17)4-2)15-7-5-12-6-8-15/h11-12H,3-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyPOZXWJGEYTUYPE-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.77
Rot. Bonds5

About N-[piperazin-1-yl-(propanoylamino)methyl]propanamide

N-[piperazin-1-yl-(propanoylamino)methyl]propanamide (PubChem CID 54200666) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[piperazin-1-yl-(propanoylamino)methyl]propanamide.

Molecular Properties

Compound NameN-[piperazin-1-yl-(propanoylamino)methyl]propanamide
PubChem CID54200666
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-[piperazin-1-yl-(propanoylamino)methyl]propanamide
SMILESCCC(=O)NC(NC(=O)CC)N1CCNCC1
InChIInChI=1S/C11H22N4O2/c1-3-9(16)13-11(14-10(17)4-2)15-7-5-12-6-8-15/h11-12H,3-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyPOZXWJGEYTUYPE-UHFFFAOYSA-N
XLogP-0.77
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[piperazin-1-yl-(propanoylamino)methyl]propanamide?
The IUPAC name of N-[piperazin-1-yl-(propanoylamino)methyl]propanamide (CID 54200666) is N-[piperazin-1-yl-(propanoylamino)methyl]propanamide.
What is the SMILES notation for N-[piperazin-1-yl-(propanoylamino)methyl]propanamide?
The canonical SMILES for N-[piperazin-1-yl-(propanoylamino)methyl]propanamide is CCC(=O)NC(NC(=O)CC)N1CCNCC1.
What is the InChIKey of N-[piperazin-1-yl-(propanoylamino)methyl]propanamide?
The InChIKey is POZXWJGEYTUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-9(16)13-11(14-10(17)4-2)15-7-5-12-6-8-15/h11-12H,3-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[piperazin-1-yl-(propanoylamino)methyl]propanamide?
N-[piperazin-1-yl-(propanoylamino)methyl]propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[piperazin-1-yl-(propanoylamino)methyl]propanamide is sourced from PubChem (CID 54200666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).