2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide

C13H25N3O — CID 66272161

IUPAC2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H25N3O/c1-2-11(13(14)17)16-9-3-4-12(16)10-5-7-15-8-6-10/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyRCESHZPCZDOXOL-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds4

About 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide

2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide (PubChem CID 66272161) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
PubChem CID66272161
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H25N3O/c1-2-11(13(14)17)16-9-3-4-12(16)10-5-7-15-8-6-10/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyRCESHZPCZDOXOL-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide (CID 66272161) is 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide is CCC(C(N)=O)N1CCCC1C1CCNCC1.
What is the InChIKey of 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
The InChIKey is RCESHZPCZDOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-11(13(14)17)16-9-3-4-12(16)10-5-7-15-8-6-10/h10-12,15H,2-9H2,1H3,(H2,14,17).
What are the key properties of 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide?
2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 66272161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).