1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

C20H26N4O2S2 — CID 30543475

IUPAC1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccsc2)n1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H26N4O2S2/c25-18(12-17-15-28-20(21-17)16-4-11-27-14-16)24-9-7-22(8-10-24)13-19(26)23-5-2-1-3-6-23/h4,11,14-15H,1-3,5-10,12-13H2
InChIKeyJQQIXNGTJKJVEM-UHFFFAOYSA-N
MW418.59 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 30543475) has the molecular formula C20H26N4O2S2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID30543475
Molecular FormulaC20H26N4O2S2
Molecular Weight418.59 g/mol
Exact Mass418.15
IUPAC Name1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccsc2)n1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H26N4O2S2/c25-18(12-17-15-28-20(21-17)16-4-11-27-14-16)24-9-7-22(8-10-24)13-19(26)23-5-2-1-3-6-23/h4,11,14-15H,1-3,5-10,12-13H2
InChIKeyJQQIXNGTJKJVEM-UHFFFAOYSA-N
XLogP2.57
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 28094182
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 32306201
1-[4-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 40055711
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 49071081
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 49073738
2-(2-Thiophen-3-yl-1,3-thiazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 55685430
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 133610630
1-Methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155846165
(4-Methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 16622774
8-[2-(2-Thiophen-3-yl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45864174
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 68681939

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone (CID 30543475) is 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccsc2)n1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JQQIXNGTJKJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S2/c25-18(12-17-15-28-20(21-17)16-4-11-27-14-16)24-9-7-22(8-10-24)13-19(26)23-5-2-1-3-6-23/h4,11,14-15H,1-3,5-10,12-13H2.
What are the key properties of 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 418.59 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 30543475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).