2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

C15H25N3OS — CID 103441573

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC1CCN(CC(=O)NC(C)c2cccs2)C(CN)C1
InChIInChI=1S/C15H25N3OS/c1-11-5-6-18(13(8-11)9-16)10-15(19)17-12(2)14-4-3-7-20-14/h3-4,7,11-13H,5-6,8-10,16H2,1-2H3,(H,17,19)
InChIKeyQFYFQPWCDUTATG-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 103441573) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID103441573
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC1CCN(CC(=O)NC(C)c2cccs2)C(CN)C1
InChIInChI=1S/C15H25N3OS/c1-11-5-6-18(13(8-11)9-16)10-15(19)17-12(2)14-4-3-7-20-14/h3-4,7,11-13H,5-6,8-10,16H2,1-2H3,(H,17,19)
InChIKeyQFYFQPWCDUTATG-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 103442104
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 103441761
N-[(1R)-1-thiophen-2-ylethyl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129429028
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (CID 103441573) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is CC1CCN(CC(=O)NC(C)c2cccs2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is QFYFQPWCDUTATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11-5-6-18(13(8-11)9-16)10-15(19)17-12(2)14-4-3-7-20-14/h3-4,7,11-13H,5-6,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 103441573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).