N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide

C14H28N4O2 — CID 22086290

IUPACN-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide
SMILESCCCC(=O)NCNC(=O)CCN1CCN(C)C(C)C1
InChIInChI=1S/C14H28N4O2/c1-4-5-13(19)15-11-16-14(20)6-7-18-9-8-17(3)12(2)10-18/h12H,4-11H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyWWRRUNUIHCLFKH-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.00
Rot. Bonds7

About N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide

N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide (PubChem CID 22086290) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide
PubChem CID22086290
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide
SMILESCCCC(=O)NCNC(=O)CCN1CCN(C)C(C)C1
InChIInChI=1S/C14H28N4O2/c1-4-5-13(19)15-11-16-14(20)6-7-18-9-8-17(3)12(2)10-18/h12H,4-11H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyWWRRUNUIHCLFKH-UHFFFAOYSA-N
XLogP0.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.00
H-Bond Donors ≤ 52
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-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide?
The IUPAC name of N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide (CID 22086290) is N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide.
What is the SMILES notation for N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide?
The canonical SMILES for N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide is CCCC(=O)NCNC(=O)CCN1CCN(C)C(C)C1.
What is the InChIKey of N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide?
The InChIKey is WWRRUNUIHCLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-5-13(19)15-11-16-14(20)6-7-18-9-8-17(3)12(2)10-18/h12H,4-11H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide?
N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide has a molecular weight of 284.40 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide is sourced from PubChem (CID 22086290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).