1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

C17H25N3O2S — CID 53158851

IUPAC1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2sc(C(=O)N3CCN(CC)CC3)cc2C1
InChIInChI=1S/C17H25N3O2S/c1-3-16(21)20-6-5-14-13(12-20)11-15(23-14)17(22)19-9-7-18(4-2)8-10-19/h11H,3-10,12H2,1-2H3
InChIKeyISWKSCQARIAUNC-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (PubChem CID 53158851) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
PubChem CID53158851
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2sc(C(=O)N3CCN(CC)CC3)cc2C1
InChIInChI=1S/C17H25N3O2S/c1-3-16(21)20-6-5-14-13(12-20)11-15(23-14)17(22)19-9-7-18(4-2)8-10-19/h11H,3-10,12H2,1-2H3
InChIKeyISWKSCQARIAUNC-UHFFFAOYSA-N
XLogP1.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 27233410
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
(4-ethylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 27233412
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158864
1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 31428014
1-[5-[2-(4-aminophenyl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]propan-1-one
CID 91167271
2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521458
4-(2-ethoxycarbonyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid
CID 155162537
ethyl 5-(4-hydroxybutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 145400573
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110878490
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (CID 53158851) is 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2sc(C(=O)N3CCN(CC)CC3)cc2C1.
What is the InChIKey of 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The InChIKey is ISWKSCQARIAUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-16(21)20-6-5-14-13(12-20)11-15(23-14)17(22)19-9-7-18(4-2)8-10-19/h11H,3-10,12H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one has a molecular weight of 335.47 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 53158851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).