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

C13H26N2O — CID 109012179

IUPACN-butyl-3-(4-methylpiperidin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-8-14-13(16)7-11-15-9-5-12(2)6-10-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyIFSULBXHOHWEDH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

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

N-butyl-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109012179) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109012179
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-3-(4-methylpiperidin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-8-14-13(16)7-11-15-9-5-12(2)6-10-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyIFSULBXHOHWEDH-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-3-(4-methylpiperidin-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

Related Compounds

3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
N-methyl-3-[4-[1-[3-oxo-3-(pentylamino)propyl]piperidin-4-yl]piperidin-1-yl]propanamide
CID 90442251
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-butyl-3-(4-methylpiperidin-1-yl)propanamide (CID 109012179) is N-butyl-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(4-methylpiperidin-1-yl)propanamide is CCCCNC(=O)CCN1CCC(C)CC1.
What is the InChIKey of N-butyl-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is IFSULBXHOHWEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-8-14-13(16)7-11-15-9-5-12(2)6-10-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-3-(4-methylpiperidin-1-yl)propanamide?
N-butyl-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109012179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).