N-butyl-2-(4-formylpiperidin-1-yl)propanamide

C13H24N2O2 — CID 55100223

IUPACN-butyl-2-(4-formylpiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C=O)CC1
InChIInChI=1S/C13H24N2O2/c1-3-4-7-14-13(17)11(2)15-8-5-12(10-16)6-9-15/h10-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyZHSVFGNKMVNAIG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds6

About N-butyl-2-(4-formylpiperidin-1-yl)propanamide

N-butyl-2-(4-formylpiperidin-1-yl)propanamide (PubChem CID 55100223) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-butyl-2-(4-formylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-formylpiperidin-1-yl)propanamide
PubChem CID55100223
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-butyl-2-(4-formylpiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C=O)CC1
InChIInChI=1S/C13H24N2O2/c1-3-4-7-14-13(17)11(2)15-8-5-12(10-16)6-9-15/h10-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyZHSVFGNKMVNAIG-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
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'}

Analyze N-butyl-2-(4-formylpiperidin-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-formylpiperidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(4-formylpiperidin-1-yl)propanamide (CID 55100223) is N-butyl-2-(4-formylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(4-formylpiperidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(4-formylpiperidin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCC(C=O)CC1.
What is the InChIKey of N-butyl-2-(4-formylpiperidin-1-yl)propanamide?
The InChIKey is ZHSVFGNKMVNAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-7-14-13(17)11(2)15-8-5-12(10-16)6-9-15/h10-12H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-butyl-2-(4-formylpiperidin-1-yl)propanamide?
N-butyl-2-(4-formylpiperidin-1-yl)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-formylpiperidin-1-yl)propanamide is sourced from PubChem (CID 55100223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).