2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide

C14H17N3O2S — CID 108548385

IUPAC2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H17N3O2S/c15-6-3-13(18)16-11-4-7-17(8-5-11)14(19)10-12-2-1-9-20-12/h1-2,9,11H,3-5,7-8,10H2,(H,16,18)
InChIKeyWJKDLJQGRJQMGU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.31
Rot. Bonds4

About 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide

2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide (PubChem CID 108548385) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
PubChem CID108548385
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H17N3O2S/c15-6-3-13(18)16-11-4-7-17(8-5-11)14(19)10-12-2-1-9-20-12/h1-2,9,11H,3-5,7-8,10H2,(H,16,18)
InChIKeyWJKDLJQGRJQMGU-UHFFFAOYSA-N
XLogP1.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide (CID 108548385) is 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide is N#CCC(=O)NC1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
The InChIKey is WJKDLJQGRJQMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-6-3-13(18)16-11-4-7-17(8-5-11)14(19)10-12-2-1-9-20-12/h1-2,9,11H,3-5,7-8,10H2,(H,16,18).
What are the key properties of 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide?
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108548385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).