1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone

C15H22N4O2S — CID 141149207

IUPAC1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CCN(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C15H22N4O2S/c20-14(9-13-11-22-12-16-13)18-5-7-19(8-6-18)15(21)10-17-3-1-2-4-17/h11-12H,1-10H2
InChIKeyQATSEYKMELMIOP-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.45
Rot. Bonds4

About 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone

1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone (PubChem CID 141149207) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
PubChem CID141149207
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CCN(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C15H22N4O2S/c20-14(9-13-11-22-12-16-13)18-5-7-19(8-6-18)15(21)10-17-3-1-2-4-17/h11-12H,1-10H2
InChIKeyQATSEYKMELMIOP-UHFFFAOYSA-N
XLogP0.45
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688
1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475971
N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 59698852
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
CID 56799956
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388
1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 156605318

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone (CID 141149207) is 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone is O=C(Cc1cscn1)N1CCN(C(=O)CN2CCCC2)CC1.
What is the InChIKey of 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
The InChIKey is QATSEYKMELMIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c20-14(9-13-11-22-12-16-13)18-5-7-19(8-6-18)15(21)10-17-3-1-2-4-17/h11-12H,1-10H2.
What are the key properties of 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone has a molecular weight of 322.43 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 141149207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).