1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

C17H28N4OS — CID 53158595

IUPAC1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C17H28N4OS/c1-3-16(22)20-8-10-21(11-9-20)17-18-15(13-23-17)12-19-6-4-14(2)5-7-19/h13-14H,3-12H2,1-2H3
InChIKeyILUPMGXRVAYKMB-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 53158595) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
PubChem CID53158595
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C17H28N4OS/c1-3-16(22)20-8-10-21(11-9-20)17-18-15(13-23-17)12-19-6-4-14(2)5-7-19/h13-14H,3-12H2,1-2H3
InChIKeyILUPMGXRVAYKMB-UHFFFAOYSA-N
XLogP2.43
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone
CID 45868209
[2-(3-Methylpiperidin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53015921
1-{2-[1-(4-Methyl-1,3-thiazol-2-YL)piperidin-4-YL]ethyl}pyrrolidin-2-one
CID 70754973
[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
[2-(4-Methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 53014669
2-Cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158495
2-Cyclohexyl-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-YL]piperazino}-1-ethanone
CID 53158498
Cyclopentyl-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158499
Cyclohexyl{4-[4-(piperidinomethyl)-1,3-thiazol-2-YL]piperazino}methanone
CID 53158522
2-Cyclohexyl-1-{4-[4-(piperidinomethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone
CID 53158535
Cyclopropyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158537
Cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158539

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (CID 53158595) is 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1.
What is the InChIKey of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is ILUPMGXRVAYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-16(22)20-8-10-21(11-9-20)17-18-15(13-23-17)12-19-6-4-14(2)5-7-19/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 336.51 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53158595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).