2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C14H23N3OS — CID 119920391

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2sccc2C)C1
InChIInChI=1S/C14H23N3OS/c1-11-5-7-19-13(11)8-16-14(18)10-17-6-3-4-12(9-17)15-2/h5,7,12,15H,3-4,6,8-10H2,1-2H3,(H,16,18)
InChIKeyMQWIGYXVWLENIK-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 119920391) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID119920391
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2sccc2C)C1
InChIInChI=1S/C14H23N3OS/c1-11-5-7-19-13(11)8-16-14(18)10-17-6-3-4-12(9-17)15-2/h5,7,12,15H,3-4,6,8-10H2,1-2H3,(H,16,18)
InChIKeyMQWIGYXVWLENIK-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760359
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
1-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909191
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063
2-[[2-[3-(methylamino)piperidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119918211
N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52574907
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 119920391) is 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is CNC1CCCN(CC(=O)NCc2sccc2C)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is MQWIGYXVWLENIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-5-7-19-13(11)8-16-14(18)10-17-6-3-4-12(9-17)15-2/h5,7,12,15H,3-4,6,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 281.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 119920391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).