3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide

C18H17N3O2S — CID 110820149

IUPAC3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H17N3O2S/c19-12-13-3-1-4-14(11-13)17(22)20-15-6-8-21(9-7-15)18(23)16-5-2-10-24-16/h1-5,10-11,15H,6-9H2,(H,20,22)
InChIKeyLCDJQWMHGFPJEV-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.65
Rot. Bonds3

About 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide

3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 110820149) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID110820149
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H17N3O2S/c19-12-13-3-1-4-14(11-13)17(22)20-15-6-8-21(9-7-15)18(23)16-5-2-10-24-16/h1-5,10-11,15H,6-9H2,(H,20,22)
InChIKeyLCDJQWMHGFPJEV-UHFFFAOYSA-N
XLogP2.65
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-[1-[chloro-[4-[(3-cyanobenzoyl)amino]piperidin-1-yl]oxyphosphoryl]oxypiperidin-4-yl]-3-cyanobenzamide
CID 175065160
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide (CID 110820149) is 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide is N#Cc1cccc(C(=O)NC2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is LCDJQWMHGFPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-12-13-3-1-4-14(11-13)17(22)20-15-6-8-21(9-7-15)18(23)16-5-2-10-24-16/h1-5,10-11,15H,6-9H2,(H,20,22).
What are the key properties of 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110820149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).