1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone

C13H20N2OS — CID 122149206

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(N)CC2C)s1
InChIInChI=1S/C13H20N2OS/c1-9-7-11(14)5-6-15(9)13(16)8-12-4-3-10(2)17-12/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyVXJZTWYFSPUYGV-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone

1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 122149206) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
PubChem CID122149206
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(N)CC2C)s1
InChIInChI=1S/C13H20N2OS/c1-9-7-11(14)5-6-15(9)13(16)8-12-4-3-10(2)17-12/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyVXJZTWYFSPUYGV-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
CID 122149198
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(4-butylphenyl)ethanone
CID 124683352
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124689352
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 124691943
1-(2,3-dimethylpiperazin-1-yl)-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 120572529
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 124691937
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
CID 131089427
1-(4-amino-2-methylpiperidin-1-yl)-2-(thian-4-yl)ethanone
CID 83135547

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone (CID 122149206) is 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)N2CCC(N)CC2C)s1.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is VXJZTWYFSPUYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-7-11(14)5-6-15(9)13(16)8-12-4-3-10(2)17-12/h3-4,9,11H,5-8,14H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone?
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 122149206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).