3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide

C13H26N2O2 — CID 114511182

IUPAC3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
SMILESCCC1CN(CCC(=O)NC(C)C)CCC1O
InChIInChI=1S/C13H26N2O2/c1-4-11-9-15(7-5-12(11)16)8-6-13(17)14-10(2)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyOTIFRZMFXVDDGE-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide

3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 114511182) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID114511182
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
SMILESCCC1CN(CCC(=O)NC(C)C)CCC1O
InChIInChI=1S/C13H26N2O2/c1-4-11-9-15(7-5-12(11)16)8-6-13(17)14-10(2)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyOTIFRZMFXVDDGE-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995
N-butan-2-yl-2-(3-ethyl-4-hydroxypiperidin-1-yl)acetamide
CID 114511157
3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 114499150
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114511071
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
CID 60750746
2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid
CID 64616093
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340321
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
CID 114511051

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide (CID 114511182) is 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide is CCC1CN(CCC(=O)NC(C)C)CCC1O.
What is the InChIKey of 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is OTIFRZMFXVDDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11-9-15(7-5-12(11)16)8-6-13(17)14-10(2)3/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide?
3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114511182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).