N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide

C14H19N3OS — CID 55178133

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2(C)CCNCC2)c(C#N)c1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-12(11(9)8-15)17-13(18)14(3)4-6-16-7-5-14/h16H,4-7H2,1-3H3,(H,17,18)
InChIKeyZIALFOARBGXICV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.56
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 55178133) 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)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide
PubChem CID55178133
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2(C)CCNCC2)c(C#N)c1C
InChIInChI=1S/C14H19N3OS/c1-9-10(2)19-12(11(9)8-15)17-13(18)14(3)4-6-16-7-5-14/h16H,4-7H2,1-3H3,(H,17,18)
InChIKeyZIALFOARBGXICV-UHFFFAOYSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide (CID 55178133) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide is Cc1sc(NC(=O)C2(C)CCNCC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is ZIALFOARBGXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-10(2)19-12(11(9)8-15)17-13(18)14(3)4-6-16-7-5-14/h16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.56, 2 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)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55178133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).