3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide

C16H25N3O3S — CID 50972849

IUPAC3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCOCCN(Cc1sccc1C)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C16H25N3O3S/c1-12-5-9-23-14(12)11-18(7-8-22-2)15(20)13-4-3-6-19(10-13)16(17)21/h5,9,13H,3-4,6-8,10-11H2,1-2H3,(H2,17,21)
InChIKeyFIAUUIVIZQMZRY-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.82
Rot. Bonds6

About 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide

3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 50972849) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID50972849
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCOCCN(Cc1sccc1C)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C16H25N3O3S/c1-12-5-9-23-14(12)11-18(7-8-22-2)15(20)13-4-3-6-19(10-13)16(17)21/h5,9,13H,3-4,6-8,10-11H2,1-2H3,(H2,17,21)
InChIKeyFIAUUIVIZQMZRY-UHFFFAOYSA-N
XLogP1.82
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124
3-N-methyl-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 45797441
1-isopropyl-N-(2-methoxyethyl)-N-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
CID 50976231
3-N-(2-methoxyethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 51074453
(3aR,7aR)-5-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97377630
1-(2-methoxyethyl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72866635
5-({1-[(3-Methyl-2-thienyl)methyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201718
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)thiophene-2-carboxamide
CID 16895546
1'-(cyclopropylcarbonyl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 45216209
N-({(3S,4R)-3-(dimethylamino)-1-[(3-methyl-2-thienyl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
CID 91920952
(1S,11R)-2-[(3-methylthiophen-2-yl)methyl]-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110202339

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide (CID 50972849) is 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide is COCCN(Cc1sccc1C)C(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is FIAUUIVIZQMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-5-9-23-14(12)11-18(7-8-22-2)15(20)13-4-3-6-19(10-13)16(17)21/h5,9,13H,3-4,6-8,10-11H2,1-2H3,(H2,17,21).
What are the key properties of 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide?
3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 50972849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).