(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one

C14H28N2O2 — CID 118427461

IUPAC(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCC(OC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)9-13(15)14(17)16-7-5-12(6-8-16)18-11(3)4/h10-13H,5-9,15H2,1-4H3/t13-/m0/s1
InChIKeyXEHDEROYYGTFOT-ZDUSSCGKSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds5

About (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one

(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one (PubChem CID 118427461) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one
PubChem CID118427461
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCC(OC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)9-13(15)14(17)16-7-5-12(6-8-16)18-11(3)4/h10-13H,5-9,15H2,1-4H3/t13-/m0/s1
InChIKeyXEHDEROYYGTFOT-ZDUSSCGKSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one 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 (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one (CID 118427461) is (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one is CC(C)C[C@H](N)C(=O)N1CCC(OC(C)C)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one?
The InChIKey is XEHDEROYYGTFOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)9-13(15)14(17)16-7-5-12(6-8-16)18-11(3)4/h10-13H,5-9,15H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one?
(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 118427461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).