(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride

C12H27Cl2N3O — CID 119842358

IUPAC(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-9(2)15-7-5-11(6-8-15)14(4)12(16)10(3)13;;/h9-11H,5-8,13H2,1-4H3;2*1H/t10-;;/m0../s1
InChIKeyGENJPHKGERBYQA-XRIOVQLTSA-N
MW300.27 g/mol
LogP1.51
Rot. Bonds3

About (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride

(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 119842358) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID119842358
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)[C@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-9(2)15-7-5-11(6-8-15)14(4)12(16)10(3)13;;/h9-11H,5-8,13H2,1-4H3;2*1H/t10-;;/m0../s1
InChIKeyGENJPHKGERBYQA-XRIOVQLTSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 103929164
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
2,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103497623
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60939711
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
2-amino-N-methyl-N-(1-oxothian-4-yl)propanamide;hydrochloride
CID 130763017
N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride
CID 119842334
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride (CID 119842358) is (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride is CC(C)N1CCC(N(C)C(=O)[C@H](C)N)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is GENJPHKGERBYQA-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-9(2)15-7-5-11(6-8-15)14(4)12(16)10(3)13;;/h9-11H,5-8,13H2,1-4H3;2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119842358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).