N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide

C13H26N2O2 — CID 114338248

IUPACN-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCCCC1CC(C)O
InChIInChI=1S/C13H26N2O2/c1-3-14-13(17)7-9-15-8-5-4-6-12(15)10-11(2)16/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyVNCABPIIFKTKNV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds6

About N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide

N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide (PubChem CID 114338248) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
PubChem CID114338248
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCCCC1CC(C)O
InChIInChI=1S/C13H26N2O2/c1-3-14-13(17)7-9-15-8-5-4-6-12(15)10-11(2)16/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyVNCABPIIFKTKNV-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide (CID 114338248) is N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide is CCNC(=O)CCN1CCCCC1CC(C)O.
What is the InChIKey of N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide?
The InChIKey is VNCABPIIFKTKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-13(17)7-9-15-8-5-4-6-12(15)10-11(2)16/h11-12,16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide?
N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 114338248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).