(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride

C15H33Cl3N4O — CID 119903533

IUPAC(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
SMILESC[C@@H](N)C(=O)NCC1(N2CCCCC2)CCN(C)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H30N4O.3ClH/c1-13(16)14(20)17-12-15(6-10-18(2)11-7-15)19-8-4-3-5-9-19;;;/h13H,3-12,16H2,1-2H3,(H,17,20);3*1H/t13-;;;/m1.../s1
InChIKeyYNXPKXHYEOYJQG-BXUUEFRQSA-N
MW391.82 g/mol
LogP1.67
Rot. Bonds4

About (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride

(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride (PubChem CID 119903533) has the molecular formula C15H33Cl3N4O and a molecular weight of 391.82 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
PubChem CID119903533
Molecular FormulaC15H33Cl3N4O
Molecular Weight391.82 g/mol
Exact Mass390.17
IUPAC Name(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
SMILESC[C@@H](N)C(=O)NCC1(N2CCCCC2)CCN(C)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H30N4O.3ClH/c1-13(16)14(20)17-12-15(6-10-18(2)11-7-15)19-8-4-3-5-9-19;;;/h13H,3-12,16H2,1-2H3,(H,17,20);3*1H/t13-;;;/m1.../s1
InChIKeyYNXPKXHYEOYJQG-BXUUEFRQSA-N
XLogP1.67
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride with MolForge

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Related Compounds

4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119139362
(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119882208
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
CID 71998960
1,2-dimethyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111465417
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903563
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
2-methyl-1-(5-methylhexan-2-yl)-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111497428
3-[[N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide;hydroiodide
CID 111993882
1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea
CID 136517705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride?
The IUPAC name of (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride (CID 119903533) is (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride is C[C@@H](N)C(=O)NCC1(N2CCCCC2)CCN(C)CC1.Cl.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride?
The InChIKey is YNXPKXHYEOYJQG-BXUUEFRQSA-N. The full InChI is InChI=1S/C15H30N4O.3ClH/c1-13(16)14(20)17-12-15(6-10-18(2)11-7-15)19-8-4-3-5-9-19;;;/h13H,3-12,16H2,1-2H3,(H,17,20);3*1H/t13-;;;/m1.../s1.
What are the key properties of (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride?
(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride has a molecular weight of 391.82 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride is sourced from PubChem (CID 119903533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).