2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide

C14H28N2O2 — CID 115874021

IUPAC2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCCC(C)(O)C1
InChIInChI=1S/C14H28N2O2/c1-5-12(6-2)15-13(17)11(3)16-9-7-8-14(4,18)10-16/h11-12,18H,5-10H2,1-4H3,(H,15,17)
InChIKeyASAMTJHGYZABGN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds5

About 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide (PubChem CID 115874021) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
PubChem CID115874021
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CCCC(C)(O)C1
InChIInChI=1S/C14H28N2O2/c1-5-12(6-2)15-13(17)11(3)16-9-7-8-14(4,18)10-16/h11-12,18H,5-10H2,1-4H3,(H,15,17)
InChIKeyASAMTJHGYZABGN-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide 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 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide (CID 115874021) is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CCCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
The InChIKey is ASAMTJHGYZABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-12(6-2)15-13(17)11(3)16-9-7-8-14(4,18)10-16/h11-12,18H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 115874021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).