N-butyl-3-(4-ethylpiperazin-1-yl)propanamide

C13H27N3O — CID 109012188

IUPACN-butyl-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-3-5-7-14-13(17)6-8-16-11-9-15(4-2)10-12-16/h3-12H2,1-2H3,(H,14,17)
InChIKeyBUBUZUVYLMRUNG-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds7

About N-butyl-3-(4-ethylpiperazin-1-yl)propanamide

N-butyl-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 109012188) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butyl-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID109012188
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butyl-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C13H27N3O/c1-3-5-7-14-13(17)6-8-16-11-9-15(4-2)10-12-16/h3-12H2,1-2H3,(H,14,17)
InChIKeyBUBUZUVYLMRUNG-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
CID 109011336

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-butyl-3-(4-ethylpiperazin-1-yl)propanamide (CID 109012188) is N-butyl-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(4-ethylpiperazin-1-yl)propanamide is CCCCNC(=O)CCN1CCN(CC)CC1.
What is the InChIKey of N-butyl-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is BUBUZUVYLMRUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-7-14-13(17)6-8-16-11-9-15(4-2)10-12-16/h3-12H2,1-2H3,(H,14,17).
What are the key properties of N-butyl-3-(4-ethylpiperazin-1-yl)propanamide?
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109012188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).