N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide

C13H26N2O2 — CID 143791008

IUPACN-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCN1CCC(OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-13(16)14-8-11-15-9-6-12(7-10-15)17-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyQSOWQHLWHITSEM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide

N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide (PubChem CID 143791008) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide
PubChem CID143791008
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCN1CCC(OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-13(16)14-8-11-15-9-6-12(7-10-15)17-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyQSOWQHLWHITSEM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide (CID 143791008) is N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide is CCCC(=O)NCCN1CCC(OCC)CC1.
What is the InChIKey of N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide?
The InChIKey is QSOWQHLWHITSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-13(16)14-8-11-15-9-6-12(7-10-15)17-4-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide?
N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxypiperidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 143791008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).