3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride

C19H27Cl2N3OS — CID 119873380

IUPAC3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCc1csc(C2CCCN(C(=O)C(C)C(N)c3ccccc3)C2)n1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-13-12-24-18(21-13)16-9-6-10-22(11-16)19(23)14(2)17(20)15-7-4-3-5-8-15;;/h3-5,7-8,12,14,16-17H,6,9-11,20H2,1-2H3;2*1H
InChIKeyGSWBQPZFTOVWSD-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.34
Rot. Bonds4

About 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride

3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride (PubChem CID 119873380) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
PubChem CID119873380
Molecular FormulaC19H27Cl2N3OS
Molecular Weight416.42 g/mol
Exact Mass415.13
IUPAC Name3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCc1csc(C2CCCN(C(=O)C(C)C(N)c3ccccc3)C2)n1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-13-12-24-18(21-13)16-9-6-10-22(11-16)19(23)14(2)17(20)15-7-4-3-5-8-15;;/h3-5,7-8,12,14,16-17H,6,9-11,20H2,1-2H3;2*1H
InChIKeyGSWBQPZFTOVWSD-UHFFFAOYSA-N
XLogP4.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride (CID 119873380) is 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride is Cc1csc(C2CCCN(C(=O)C(C)C(N)c3ccccc3)C2)n1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The InChIKey is GSWBQPZFTOVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.2ClH/c1-13-12-24-18(21-13)16-9-6-10-22(11-16)19(23)14(2)17(20)15-7-4-3-5-8-15;;/h3-5,7-8,12,14,16-17H,6,9-11,20H2,1-2H3;2*1H.
What are the key properties of 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride has a molecular weight of 416.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119873380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).