2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide

C14H27N3O2 — CID 119394504

IUPAC2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
SMILESC=CCCOC(C)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-4-12-19-13(2)14(18)16-6-5-9-17-10-7-15-8-11-17/h3,13,15H,1,4-12H2,2H3,(H,16,18)
InChIKeyYWJTZHMUZVQBLL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.38
Rot. Bonds9

About 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide

2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 119394504) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID119394504
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
SMILESC=CCCOC(C)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-4-12-19-13(2)14(18)16-6-5-9-17-10-7-15-8-11-17/h3,13,15H,1,4-12H2,2H3,(H,16,18)
InChIKeyYWJTZHMUZVQBLL-UHFFFAOYSA-N
XLogP0.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
1-oct-7-enylpiperazine
CID 67041339
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide (CID 119394504) is 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide is C=CCCOC(C)C(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is YWJTZHMUZVQBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-4-12-19-13(2)14(18)16-6-5-9-17-10-7-15-8-11-17/h3,13,15H,1,4-12H2,2H3,(H,16,18).
What are the key properties of 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide?
2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 119394504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).