1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one

C16H19N3O2S — CID 78801508

IUPAC1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H19N3O2S/c20-15-5-1-2-6-19(15)13-16(21)18-9-7-17(8-10-18)12-14-4-3-11-22-14/h1-6,11H,7-10,12-13H2
InChIKeyCBDMGPLZJXKSLQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.25
Rot. Bonds4

About 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one

1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 78801508) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID78801508
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H19N3O2S/c20-15-5-1-2-6-19(15)13-16(21)18-9-7-17(8-10-18)12-14-4-3-11-22-14/h1-6,11H,7-10,12-13H2
InChIKeyCBDMGPLZJXKSLQ-UHFFFAOYSA-N
XLogP1.25
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 74233473
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 70767330
3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 55602720
1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 78840368
1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
CID 136578933

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one (CID 78801508) is 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is CBDMGPLZJXKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15-5-1-2-6-19(15)13-16(21)18-9-7-17(8-10-18)12-14-4-3-11-22-14/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one?
1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 317.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 78801508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).