3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride

C19H28Cl2N4O2 — CID 119900547

IUPAC3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCOC(C)(c2cnn(C)c2)C1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N4O2.2ClH/c1-14(17(20)15-7-5-4-6-8-15)18(24)23-9-10-25-19(2,13-23)16-11-21-22(3)12-16;;/h4-8,11-12,14,17H,9-10,13,20H2,1-3H3;2*1H
InChIKeyWLBDYKFWHIUBMX-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride

3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride (PubChem CID 119900547) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
PubChem CID119900547
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCC(C(=O)N1CCOC(C)(c2cnn(C)c2)C1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N4O2.2ClH/c1-14(17(20)15-7-5-4-6-8-15)18(24)23-9-10-25-19(2,13-23)16-11-21-22(3)12-16;;/h4-8,11-12,14,17H,9-10,13,20H2,1-3H3;2*1H
InChIKeyWLBDYKFWHIUBMX-UHFFFAOYSA-N
XLogP2.67
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride 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 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride (CID 119900547) is 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride is CC(C(=O)N1CCOC(C)(c2cnn(C)c2)C1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride?
The InChIKey is WLBDYKFWHIUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.2ClH/c1-14(17(20)15-7-5-4-6-8-15)18(24)23-9-10-25-19(2,13-23)16-11-21-22(3)12-16;;/h4-8,11-12,14,17H,9-10,13,20H2,1-3H3;2*1H.
What are the key properties of 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride?
3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119900547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).