1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

C18H27N3O2S — CID 78795769

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O2S/c1-14-5-7-20(8-6-14)17(22)15(2)19-9-11-21(12-10-19)18(23)16-4-3-13-24-16/h3-4,13-15H,5-12H2,1-2H3
InChIKeyHQGZEKWGTIUATG-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 78795769) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID78795769
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C18H27N3O2S/c1-14-5-7-20(8-6-14)17(22)15(2)19-9-11-21(12-10-19)18(23)16-4-3-13-24-16/h3-4,13-15H,5-12H2,1-2H3
InChIKeyHQGZEKWGTIUATG-UHFFFAOYSA-N
XLogP2.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-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

ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208442
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 97210714
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
propan-2-yl 4-methyl-N-(thiophene-2-carbonyl)piperidine-1-carboximidate
CID 7418681

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (CID 78795769) is 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is CC1CCN(C(=O)C(C)N2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is HQGZEKWGTIUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-5-7-20(8-6-14)17(22)15(2)19-9-11-21(12-10-19)18(23)16-4-3-13-24-16/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 349.50 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78795769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).