1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C13H20N2OS — CID 124689352

IUPAC1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)CCc1cccs1
InChIInChI=1S/C13H20N2OS/c1-10-9-11(14)6-7-15(10)13(16)5-4-12-3-2-8-17-12/h2-3,8,10-11H,4-7,9,14H2,1H3/t10-,11-/m1/s1
InChIKeyVTSQTXXRFKXQHZ-GHMZBOCLSA-N
MW252.38 g/mol
LogP2.02
Rot. Bonds3

About 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 124689352) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID124689352
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)CCc1cccs1
InChIInChI=1S/C13H20N2OS/c1-10-9-11(14)6-7-15(10)13(16)5-4-12-3-2-8-17-12/h2-3,8,10-11H,4-7,9,14H2,1H3/t10-,11-/m1/s1
InChIKeyVTSQTXXRFKXQHZ-GHMZBOCLSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124689344
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124691321
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 103352144
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-(4-propoxyphenyl)propan-1-one
CID 124682725
1-[2-(1-aminoethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119435747
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
CID 122149206
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-thiophen-2-ylpropan-1-one
CID 42890649
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
CID 122149198
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one
CID 122149049
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 124689352) is 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one is C[C@@H]1C[C@H](N)CCN1C(=O)CCc1cccs1.
What is the InChIKey of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is VTSQTXXRFKXQHZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-9-11(14)6-7-15(10)13(16)5-4-12-3-2-8-17-12/h2-3,8,10-11H,4-7,9,14H2,1H3/t10-,11-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 252.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 124689352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).