1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one

C17H21N3O2S — CID 53191711

IUPAC1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)Cc3cccs3)CC2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-18-12-14(4-5-16(18)21)13-19-6-8-20(9-7-19)17(22)11-15-3-2-10-23-15/h2-5,10,12H,6-9,11,13H2,1H3
InChIKeyRBNUUDHMTVJTMY-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.33
Rot. Bonds4

About 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one

1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191711) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191711
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)Cc3cccs3)CC2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-18-12-14(4-5-16(18)21)13-19-6-8-20(9-7-19)17(22)11-15-3-2-10-23-15/h2-5,10,12H,6-9,11,13H2,1H3
InChIKeyRBNUUDHMTVJTMY-UHFFFAOYSA-N
XLogP1.33
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191711) is 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one is Cn1cc(CN2CCN(C(=O)Cc3cccs3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is RBNUUDHMTVJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-18-12-14(4-5-16(18)21)13-19-6-8-20(9-7-19)17(22)11-15-3-2-10-23-15/h2-5,10,12H,6-9,11,13H2,1H3.
What are the key properties of 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 331.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).