N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide

C14H19N3OS — CID 62674565

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide
SMILESCc1sc(NC(=O)CC2CCCNC2)c(C#N)c1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-14(12(9)7-15)17-13(18)6-11-4-3-5-16-8-11/h11,16H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyDKUVERVKORYWBF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.56
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide (PubChem CID 62674565) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide
PubChem CID62674565
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide
SMILESCc1sc(NC(=O)CC2CCCNC2)c(C#N)c1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-14(12(9)7-15)17-13(18)6-11-4-3-5-16-8-11/h11,16H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyDKUVERVKORYWBF-UHFFFAOYSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide (CID 62674565) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide is Cc1sc(NC(=O)CC2CCCNC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide?
The InChIKey is DKUVERVKORYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-10(2)19-14(12(9)7-15)17-13(18)6-11-4-3-5-16-8-11/h11,16H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62674565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).