2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C16H26N4O2S — CID 53158694

IUPAC2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C16H26N4O2S/c1-22-12-15(21)19-7-9-20(10-8-19)16-17-14(13-23-16)11-18-5-3-2-4-6-18/h13H,2-12H2,1H3
InChIKeyPEGAQDKXLVFAJT-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.42
Rot. Bonds5

About 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 53158694) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID53158694
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C16H26N4O2S/c1-22-12-15(21)19-7-9-20(10-8-19)16-17-14(13-23-16)11-18-5-3-2-4-6-18/h13H,2-12H2,1H3
InChIKeyPEGAQDKXLVFAJT-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158498
2-(2-fluorophenyl)-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158552
2-(4-methoxyphenoxy)-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158764
(3-methoxyphenyl)-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158524
cyclopropyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158577
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
CID 70809648
2-[6-methyl-8-[4-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxy-1-piperidin-1-ylethanone
CID 46202766
ethyl 2-[2-(azepan-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574155
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 53158599
2-cyclopentyloxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56802177
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 53158694) is 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2nc(CN3CCCCC3)cs2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is PEGAQDKXLVFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-22-12-15(21)19-7-9-20(10-8-19)16-17-14(13-23-16)11-18-5-3-2-4-6-18/h13H,2-12H2,1H3.
What are the key properties of 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 338.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53158694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).