1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

C18H23N3O2S — CID 53191697

IUPAC1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)c3sccc3C)CC2)ccc1=O
InChIInChI=1S/C18H23N3O2S/c1-3-20-13-15(4-5-16(20)22)12-19-7-9-21(10-8-19)18(23)17-14(2)6-11-24-17/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyFBWKFROUIXVVQI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.20
Rot. Bonds4

About 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one

1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191697) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191697
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)c3sccc3C)CC2)ccc1=O
InChIInChI=1S/C18H23N3O2S/c1-3-20-13-15(4-5-16(20)22)12-19-7-9-21(10-8-19)18(23)17-14(2)6-11-24-17/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyFBWKFROUIXVVQI-UHFFFAOYSA-N
XLogP2.20
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191697) is 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is CCn1cc(CN2CCN(C(=O)c3sccc3C)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is FBWKFROUIXVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-20-13-15(4-5-16(20)22)12-19-7-9-21(10-8-19)18(23)17-14(2)6-11-24-17/h4-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 345.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).