3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide

C16H33N3O — CID 156820113

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1CCN(C(C)CC)CC1
InChIInChI=1S/C16H33N3O/c1-4-6-7-9-17-16(20)8-10-18-11-13-19(14-12-18)15(3)5-2/h15H,4-14H2,1-3H3,(H,17,20)
InChIKeyYEIJXZUCBBUMAO-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.10
Rot. Bonds9

About 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide

3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide (PubChem CID 156820113) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
PubChem CID156820113
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1CCN(C(C)CC)CC1
InChIInChI=1S/C16H33N3O/c1-4-6-7-9-17-16(20)8-10-18-11-13-19(14-12-18)15(3)5-2/h15H,4-14H2,1-3H3,(H,17,20)
InChIKeyYEIJXZUCBBUMAO-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
CID 90442251
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
3-[4-[1-(butylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522452
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide (CID 156820113) is 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide is CCCCCNC(=O)CCN1CCN(C(C)CC)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide?
The InChIKey is YEIJXZUCBBUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-6-7-9-17-16(20)8-10-18-11-13-19(14-12-18)15(3)5-2/h15H,4-14H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide?
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide is sourced from PubChem (CID 156820113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).