2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

C13H28ClN3O — CID 119393199

IUPAC2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCCC(CC)C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-3-12(4-2)13(17)15-6-5-9-16-10-7-14-8-11-16;/h12,14H,3-11H2,1-2H3,(H,15,17);1H
InChIKeyFCIJKBSUBNHWOX-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.26
Rot. Bonds7

About 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119393199) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119393199
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCCC(CC)C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-3-12(4-2)13(17)15-6-5-9-16-10-7-14-8-11-16;/h12,14H,3-11H2,1-2H3,(H,15,17);1H
InChIKeyFCIJKBSUBNHWOX-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
CID 110441795
3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
CID 119393081
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266204
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119393199) is 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is CCC(CC)C(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is FCIJKBSUBNHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-3-12(4-2)13(17)15-6-5-9-16-10-7-14-8-11-16;/h12,14H,3-11H2,1-2H3,(H,15,17);1H.
What are the key properties of 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119393199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).