N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide

C16H31N3O — CID 66272366

IUPACN-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCCC1C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-3-4-10-18-16(20)13(2)19-11-6-8-15(19)14-7-5-9-17-12-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyWCYKBTWGYDTZHH-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds6

About N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide

N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide (PubChem CID 66272366) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide
PubChem CID66272366
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCCC1C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-3-4-10-18-16(20)13(2)19-11-6-8-15(19)14-7-5-9-17-12-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyWCYKBTWGYDTZHH-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-(2-piperidin-3-ylpyrrolidin-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-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide (CID 66272366) is N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCCC1C1CCCNC1.
What is the InChIKey of N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide?
The InChIKey is WCYKBTWGYDTZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-4-10-18-16(20)13(2)19-11-6-8-15(19)14-7-5-9-17-12-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide?
N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 66272366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).