(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride

C11H25Cl2N3O — CID 119866906

IUPAC(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-3-10(12)11(15)13-8-9-4-6-14(2)7-5-9;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t10-;;/m0../s1
InChIKeyKBCJSOGLFGZCNM-XRIOVQLTSA-N
MW286.25 g/mol
LogP1.03
Rot. Bonds4

About (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride

(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride (PubChem CID 119866906) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
PubChem CID119866906
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-3-10(12)11(15)13-8-9-4-6-14(2)7-5-9;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t10-;;/m0../s1
InChIKeyKBCJSOGLFGZCNM-XRIOVQLTSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;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

2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
(2S)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]butanamide
CID 119898755
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride (CID 119866906) is (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride is CC[C@H](N)C(=O)NCC1CCN(C)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride?
The InChIKey is KBCJSOGLFGZCNM-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-3-10(12)11(15)13-8-9-4-6-14(2)7-5-9;;/h9-10H,3-8,12H2,1-2H3,(H,13,15);2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119866906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).