[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride

C19H27Cl2N3OS — CID 119644492

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)CC1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-3-20-12-15-6-9-22(10-7-15)19(23)17-4-5-18(21-14(17)2)16-8-11-24-13-16;;/h4-5,8,11,13,15,20H,3,6-7,9-10,12H2,1-2H3;2*1H
InChIKeySTEHYTBXKOVMSU-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.42
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 119644492) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
PubChem CID119644492
Molecular FormulaC19H27Cl2N3OS
Molecular Weight416.42 g/mol
Exact Mass415.13
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)CC1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-3-20-12-15-6-9-22(10-7-15)19(23)17-4-5-18(21-14(17)2)16-8-11-24-13-16;;/h4-5,8,11,13,15,20H,3,6-7,9-10,12H2,1-2H3;2*1H
InChIKeySTEHYTBXKOVMSU-UHFFFAOYSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride with MolForge

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Related Compounds

(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126788105
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 126779126
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 119635243
1,4-diazepan-1-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119414456
(3-hydroxypiperidin-1-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 110922130
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(ethylaminomethyl)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119644806
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride (CID 119644492) is [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride is CCNCC1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)CC1.Cl.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is STEHYTBXKOVMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.2ClH/c1-3-20-12-15-6-9-22(10-7-15)19(23)17-4-5-18(21-14(17)2)16-8-11-24-13-16;;/h4-5,8,11,13,15,20H,3,6-7,9-10,12H2,1-2H3;2*1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 416.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119644492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).