2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C15H23N3OS — CID 102681794

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC2CNCC21
InChIInChI=1S/C15H23N3OS/c1-17(9-12-4-6-20-11-12)15(19)10-18-5-2-3-13-7-16-8-14(13)18/h4,6,11,13-14,16H,2-3,5,7-10H2,1H3
InChIKeyKAARODKUYBQCDD-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.39
Rot. Bonds4

About 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 102681794) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID102681794
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC2CNCC21
InChIInChI=1S/C15H23N3OS/c1-17(9-12-4-6-20-11-12)15(19)10-18-5-2-3-13-7-16-8-14(13)18/h4,6,11,13-14,16H,2-3,5,7-10H2,1H3
InChIKeyKAARODKUYBQCDD-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 62273221
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053
2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 106744854
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62357316
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 102681815

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 102681794) is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN1CCCC2CNCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is KAARODKUYBQCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17(9-12-4-6-20-11-12)15(19)10-18-5-2-3-13-7-16-8-14(13)18/h4,6,11,13-14,16H,2-3,5,7-10H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 102681794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).