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

C17H21N3O2S — CID 53191695

IUPAC1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-2-19-13-14(5-6-16(19)21)12-18-7-9-20(10-8-18)17(22)15-4-3-11-23-15/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyPAEHNXCWLUATGX-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.89
Rot. Bonds4

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

1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191695) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191695
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-2-19-13-14(5-6-16(19)21)12-18-7-9-20(10-8-18)17(22)15-4-3-11-23-15/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyPAEHNXCWLUATGX-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Piperidyl-1-(2-thienylcarbonyl)piperidine-4-carboxamide
CID 687901
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-3-yl)-methanone
CID 11624178

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191695) is 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is CCn1cc(CN2CCN(C(=O)c3cccs3)CC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is PAEHNXCWLUATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-19-13-14(5-6-16(19)21)12-18-7-9-20(10-8-18)17(22)15-4-3-11-23-15/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of 1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one?
1-ethyl-5-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 331.44 g/mol, XLogP of 1.89, 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-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).