4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole

C20H28N4S — CID 75510884

IUPAC4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cccc(N2CCN(C3CCN(Cc4cscn4)CC3)CC2)c1
InChIInChI=1S/C20H28N4S/c1-17-3-2-4-20(13-17)24-11-9-23(10-12-24)19-5-7-22(8-6-19)14-18-15-25-16-21-18/h2-4,13,15-16,19H,5-12,14H2,1H3
InChIKeyQLYMVUDZPLESBV-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.24
Rot. Bonds4

About 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 75510884) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID75510884
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cccc(N2CCN(C3CCN(Cc4cscn4)CC3)CC2)c1
InChIInChI=1S/C20H28N4S/c1-17-3-2-4-20(13-17)24-11-9-23(10-12-24)19-5-7-22(8-6-19)14-18-15-25-16-21-18/h2-4,13,15-16,19H,5-12,14H2,1H3
InChIKeyQLYMVUDZPLESBV-UHFFFAOYSA-N
XLogP3.24
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369760
4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
CID 114762012
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
CID 154920531
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 31224091

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 75510884) is 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cccc(N2CCN(C3CCN(Cc4cscn4)CC3)CC2)c1.
What is the InChIKey of 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QLYMVUDZPLESBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-17-3-2-4-20(13-17)24-11-9-23(10-12-24)19-5-7-22(8-6-19)14-18-15-25-16-21-18/h2-4,13,15-16,19H,5-12,14H2,1H3.
What are the key properties of 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 356.54 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 75510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).