3-(4-formylpiperazin-1-yl)-N-pentylpropanamide

C13H25N3O2 — CID 109017998

IUPAC3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1CCN(C=O)CC1
InChIInChI=1S/C13H25N3O2/c1-2-3-4-6-14-13(18)5-7-15-8-10-16(12-17)11-9-15/h12H,2-11H2,1H3,(H,14,18)
InChIKeyJJRWAFXPDCONAQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.46
Rot. Bonds8

About 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide

3-(4-formylpiperazin-1-yl)-N-pentylpropanamide (PubChem CID 109017998) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
PubChem CID109017998
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1CCN(C=O)CC1
InChIInChI=1S/C13H25N3O2/c1-2-3-4-6-14-13(18)5-7-15-8-10-16(12-17)11-9-15/h12H,2-11H2,1H3,(H,14,18)
InChIKeyJJRWAFXPDCONAQ-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
N-[(Z)-octadec-9-enyl]-3-pyrrolidin-1-ylpropanamide
CID 165361675
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
CID 90442251
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
CID 165060852
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide?
The IUPAC name of 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide (CID 109017998) is 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide is CCCCCNC(=O)CCN1CCN(C=O)CC1.
What is the InChIKey of 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide?
The InChIKey is JJRWAFXPDCONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-4-6-14-13(18)5-7-15-8-10-16(12-17)11-9-15/h12H,2-11H2,1H3,(H,14,18).
What are the key properties of 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide?
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazin-1-yl)-N-pentylpropanamide is sourced from PubChem (CID 109017998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).