2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C13H21N3OS — CID 102977518

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C13H21N3OS/c1-15(7-11-4-6-18-10-11)13(17)9-16-5-2-3-12(14)8-16/h4,6,10,12H,2-3,5,7-9,14H2,1H3/t12-/m1/s1
InChIKeyFSNUVKMIGBDLIE-GFCCVEGCSA-N
MW267.40 g/mol
LogP1.13
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 102977518) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID102977518
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C13H21N3OS/c1-15(7-11-4-6-18-10-11)13(17)9-16-5-2-3-12(14)8-16/h4,6,10,12H,2-3,5,7-9,14H2,1H3/t12-/m1/s1
InChIKeyFSNUVKMIGBDLIE-GFCCVEGCSA-N
XLogP1.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62357316
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137287
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 79121413
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 102977518) is 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is FSNUVKMIGBDLIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-15(7-11-4-6-18-10-11)13(17)9-16-5-2-3-12(14)8-16/h4,6,10,12H,2-3,5,7-9,14H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 102977518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).