1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one

C17H21N3O2S — CID 53191718

IUPAC1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)Cc3ccsc3)CC2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-18-11-15(2-3-16(18)21)12-19-5-7-20(8-6-19)17(22)10-14-4-9-23-13-14/h2-4,9,11,13H,5-8,10,12H2,1H3
InChIKeyDLDORUSEFFWICZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.33
Rot. Bonds4

About 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one

1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191718) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191718
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)Cc3ccsc3)CC2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-18-11-15(2-3-16(18)21)12-19-5-7-20(8-6-19)17(22)10-14-4-9-23-13-14/h2-4,9,11,13H,5-8,10,12H2,1H3
InChIKeyDLDORUSEFFWICZ-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

Analyze 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

(5-methylthiophen-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1247773
Ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 2123310
(E)-3-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-2-thiophen-3-ylprop-2-en-1-one;hydrochloride
CID 16196209
(4-Methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
CID 17250257
(E)-1-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-en-1-one
CID 2349712
1-(2-Methoxyethyl)-7-(2-thiophen-3-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390054
1-(Cyclopropylmethyl)-7-(2-thiophen-3-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390080
N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-3-ylacetamide
CID 118739002
1-ethyl-5-{[4-(3-thienylcarbonyl)piperazino]methyl}-2(1H)-pyridinone
CID 53191699
1-Ethyl-5-{[4-(thiophene-2-carbonyl)piperazin-1-YL]methyl}-1,2-dihydropyridin-2-one
CID 53191695
1-Ethyl-5-({4-[2-(thiophen-2-YL)acetyl]piperazin-1-YL}methyl)-1,2-dihydropyridin-2-one
CID 53191696
1-(3-Methylbutanoyl)-4-(2-thienylcarbonyl)piperazine
CID 787273

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191718) is 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one is Cn1cc(CN2CCN(C(=O)Cc3ccsc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is DLDORUSEFFWICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-18-11-15(2-3-16(18)21)12-19-5-7-20(8-6-19)17(22)10-14-4-9-23-13-14/h2-4,9,11,13H,5-8,10,12H2,1H3.
What are the key properties of 1-methyl-5-[[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-5-[[4-(2-thiophen-3-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-3-ylacetyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).