[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride

C20H28Cl2N4OS — CID 166599615

IUPAC[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.Nc1nc(C2(c3ccccc3)CCN(C(=O)[C@H]3CCCCN3)CC2)cs1
InChIInChI=1S/C20H26N4OS.2ClH/c21-19-23-17(14-26-19)20(15-6-2-1-3-7-15)9-12-24(13-10-20)18(25)16-8-4-5-11-22-16;;/h1-3,6-7,14,16,22H,4-5,8-13H2,(H2,21,23);2*1H/t16-;;/m1../s1
InChIKeyCZEZABJSJGIHNO-GGMCWBHBSA-N
MW443.44 g/mol
LogP3.62
Rot. Bonds3

About [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride (PubChem CID 166599615) has the molecular formula C20H28Cl2N4OS and a molecular weight of 443.44 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
PubChem CID166599615
Molecular FormulaC20H28Cl2N4OS
Molecular Weight443.44 g/mol
Exact Mass442.14
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.Nc1nc(C2(c3ccccc3)CCN(C(=O)[C@H]3CCCCN3)CC2)cs1
InChIInChI=1S/C20H26N4OS.2ClH/c21-19-23-17(14-26-19)20(15-6-2-1-3-7-15)9-12-24(13-10-20)18(25)16-8-4-5-11-22-16;;/h1-3,6-7,14,16,22H,4-5,8-13H2,(H2,21,23);2*1H/t16-;;/m1../s1
InChIKeyCZEZABJSJGIHNO-GGMCWBHBSA-N
XLogP3.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride with MolForge

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Related Compounds

5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
CID 166599817
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(3-methyl-3-phenylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119325537
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 119337174
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 165420195
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride (CID 166599615) is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride is Cl.Cl.Nc1nc(C2(c3ccccc3)CCN(C(=O)[C@H]3CCCCN3)CC2)cs1.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride?
The InChIKey is CZEZABJSJGIHNO-GGMCWBHBSA-N. The full InChI is InChI=1S/C20H26N4OS.2ClH/c21-19-23-17(14-26-19)20(15-6-2-1-3-7-15)9-12-24(13-10-20)18(25)16-8-4-5-11-22-16;;/h1-3,6-7,14,16,22H,4-5,8-13H2,(H2,21,23);2*1H/t16-;;/m1../s1.
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride?
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride has a molecular weight of 443.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 166599615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).