2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C15H25N3O2S — CID 115963766

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCOC1CCN(CC(=O)N(C)Cc2ccsc2)C(CN)C1
InChIInChI=1S/C15H25N3O2S/c1-17(9-12-4-6-21-11-12)15(19)10-18-5-3-14(20-2)7-13(18)8-16/h4,6,11,13-14H,3,5,7-10,16H2,1-2H3
InChIKeyNVCJIZCLODZEST-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.14
Rot. Bonds6

About 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 115963766) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID115963766
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCOC1CCN(CC(=O)N(C)Cc2ccsc2)C(CN)C1
InChIInChI=1S/C15H25N3O2S/c1-17(9-12-4-6-21-11-12)15(19)10-18-5-3-14(20-2)7-13(18)8-16/h4,6,11,13-14H,3,5,7-10,16H2,1-2H3
InChIKeyNVCJIZCLODZEST-UHFFFAOYSA-N
XLogP1.14
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 115963661
2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 106744854
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
methyl 4-hydroxy-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 115971613
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903
4-methoxy-1-[methyl(thiophen-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197545
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 115963766) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is COC1CCN(CC(=O)N(C)Cc2ccsc2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is NVCJIZCLODZEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(9-12-4-6-21-11-12)15(19)10-18-5-3-14(20-2)7-13(18)8-16/h4,6,11,13-14H,3,5,7-10,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 115963766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).