2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide

C13H18N4OS — CID 79992685

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2sccc2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-9-4-11(15)7-17(6-9)8-12(18)16-13-10(5-14)2-3-19-13/h2-3,9,11H,4,6-8,15H2,1H3,(H,16,18)
InChIKeyVSRZIUYAMSOOAF-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.23
Rot. Bonds3

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 79992685) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID79992685
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2sccc2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-9-4-11(15)7-17(6-9)8-12(18)16-13-10(5-14)2-3-19-13/h2-3,9,11H,4,6-8,15H2,1H3,(H,16,18)
InChIKeyVSRZIUYAMSOOAF-UHFFFAOYSA-N
XLogP1.23
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81214186
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide (CID 79992685) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide is CC1CC(N)CN(CC(=O)Nc2sccc2C#N)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is VSRZIUYAMSOOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-4-11(15)7-17(6-9)8-12(18)16-13-10(5-14)2-3-19-13/h2-3,9,11H,4,6-8,15H2,1H3,(H,16,18).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 79992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).