N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide

C13H17N3O2S — CID 103898672

IUPACN-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2sccc2C#N)CC1O
InChIInChI=1S/C13H17N3O2S/c1-9-2-4-16(7-11(9)17)8-12(18)15-13-10(6-14)3-5-19-13/h3,5,9,11,17H,2,4,7-8H2,1H3,(H,15,18)
InChIKeyJYTHGNWRCYSRNJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.26
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide (PubChem CID 103898672) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
PubChem CID103898672
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2sccc2C#N)CC1O
InChIInChI=1S/C13H17N3O2S/c1-9-2-4-16(7-11(9)17)8-12(18)15-13-10(6-14)3-5-19-13/h3,5,9,11,17H,2,4,7-8H2,1H3,(H,15,18)
InChIKeyJYTHGNWRCYSRNJ-UHFFFAOYSA-N
XLogP1.26
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)acetamide
CID 79992685
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
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
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773779
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide (CID 103898672) is N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2sccc2C#N)CC1O.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
The InChIKey is JYTHGNWRCYSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-2-4-16(7-11(9)17)8-12(18)15-13-10(6-14)3-5-19-13/h3,5,9,11,17H,2,4,7-8H2,1H3,(H,15,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 103898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).