2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide

C15H31N3O2 — CID 119392976

IUPAC2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCC(C)CCOC(C)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H31N3O2/c1-13(2)5-12-20-14(3)15(19)17-6-4-9-18-10-7-16-8-11-18/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyUIBBAYKOULVNID-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.85
Rot. Bonds9

About 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide

2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 119392976) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID119392976
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCC(C)CCOC(C)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H31N3O2/c1-13(2)5-12-20-14(3)15(19)17-6-4-9-18-10-7-16-8-11-18/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyUIBBAYKOULVNID-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394504
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
N-(3-aminopropyl)-2-(3-methylbutoxy)propanamide;hydrochloride
CID 119407306
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
1-(8-methylnonyl)piperazine
CID 170614920
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide (CID 119392976) is 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide is CC(C)CCOC(C)C(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is UIBBAYKOULVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)5-12-20-14(3)15(19)17-6-4-9-18-10-7-16-8-11-18/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide?
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 119392976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).