N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide

C14H19N3OS — CID 94700336

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN1CCC(C#N)(N(C)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H19N3OS/c1-16-7-5-14(11-15,6-8-16)17(2)13(18)10-12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeySSDNUPSZVRWFOK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide

N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 94700336) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
PubChem CID94700336
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN1CCC(C#N)(N(C)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H19N3OS/c1-16-7-5-14(11-15,6-8-16)17(2)13(18)10-12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeySSDNUPSZVRWFOK-UHFFFAOYSA-N
XLogP1.74
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
1-methyl-4-thiophen-2-ylpiperidine-4-carbonitrile
CID 59443916
N-methyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylacetamide
CID 110753224
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-cyclopentyl-1-[methyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 4210660
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
1-cyano-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 80591845
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide (CID 94700336) is N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide is CN1CCC(C#N)(N(C)C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is SSDNUPSZVRWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16-7-5-14(11-15,6-8-16)17(2)13(18)10-12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 277.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 94700336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).