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

C23H32N4O2S — CID 10342554

IUPAC1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
InChIInChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
InChIKeyHYROFOKEXWNSCZ-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.77
Rot. Bonds7

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

1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one (PubChem CID 10342554) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one
PubChem CID10342554
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
InChIInChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
InChIKeyHYROFOKEXWNSCZ-UHFFFAOYSA-N
XLogP3.77
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-pyrrolidin-2-one
CID 10047430
4-(1,3-Benzothiazol-2-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]butan-1-one
CID 2110122
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
1-[[5-[[4-(2-Propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one;hydrochloride
CID 45262113
Piperazine, 1-(2-ethoxyphenyl)-4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-, trihydrochloride
CID 3078056
Piperazine, 1-(2-methoxyphenyl)-4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-, trihydrochloride
CID 3078062
Piperazine, 1-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-4-(2-propoxyphenyl)-, monohydrochloride
CID 3078074
[3-[4-(2-Methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 24791310
1-(2-Methoxyphenyl)-4-{1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 24817720
1-[(2-Methyl-1,3-thiazol-4-yl)acetyl]-4-(2-phenoxyethyl)piperazine
CID 70739238
1-(3-Methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71869124

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one (CID 10342554) is 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1.
What is the InChIKey of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one?
The InChIKey is HYROFOKEXWNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3.
What are the key properties of 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one?
1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one has a molecular weight of 428.60 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 10342554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).