5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride

C20H27Cl2N5O2S — CID 166599817

IUPAC5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
SMILESCN1CC(C(=O)N2CCC(c3ccccc3)(c3csc(N)n3)CC2)NCC1=O.Cl.Cl
InChIInChI=1S/C20H25N5O2S.2ClH/c1-24-12-15(22-11-17(24)26)18(27)25-9-7-20(8-10-25,14-5-3-2-4-6-14)16-13-28-19(21)23-16;;/h2-6,13,15,22H,7-12H2,1H3,(H2,21,23);2*1H
InChIKeyZCCVFIRKMALSMM-UHFFFAOYSA-N
MW472.44 g/mol
LogP1.91
Rot. Bonds3

About 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride

5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride (PubChem CID 166599817) has the molecular formula C20H27Cl2N5O2S and a molecular weight of 472.44 g/mol. Its IUPAC name is 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
PubChem CID166599817
Molecular FormulaC20H27Cl2N5O2S
Molecular Weight472.44 g/mol
Exact Mass471.13
IUPAC Name5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
SMILESCN1CC(C(=O)N2CCC(c3ccccc3)(c3csc(N)n3)CC2)NCC1=O.Cl.Cl
InChIInChI=1S/C20H25N5O2S.2ClH/c1-24-12-15(22-11-17(24)26)18(27)25-9-7-20(8-10-25,14-5-3-2-4-6-14)16-13-28-19(21)23-16;;/h2-6,13,15,22H,7-12H2,1H3,(H2,21,23);2*1H
InChIKeyZCCVFIRKMALSMM-UHFFFAOYSA-N
XLogP1.91
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride with MolForge

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Related Compounds

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
3-[3-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 165420685
[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-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride?
The IUPAC name of 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride (CID 166599817) is 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride.
What is the SMILES notation for 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride?
The canonical SMILES for 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride is CN1CC(C(=O)N2CCC(c3ccccc3)(c3csc(N)n3)CC2)NCC1=O.Cl.Cl.
What is the InChIKey of 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride?
The InChIKey is ZCCVFIRKMALSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S.2ClH/c1-24-12-15(22-11-17(24)26)18(27)25-9-7-20(8-10-25,14-5-3-2-4-6-14)16-13-28-19(21)23-16;;/h2-6,13,15,22H,7-12H2,1H3,(H2,21,23);2*1H.
What are the key properties of 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride?
5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride has a molecular weight of 472.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride is sourced from PubChem (CID 166599817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).