2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile

C19H20N2OS — CID 70772329

IUPAC2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCCCC1CCc1cccs1
InChIInChI=1S/C19H20N2OS/c20-14-15-6-1-2-9-18(15)19(22)21-12-4-3-7-16(21)10-11-17-8-5-13-23-17/h1-2,5-6,8-9,13,16H,3-4,7,10-12H2
InChIKeyGLVMRBVYROOFOC-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.25
Rot. Bonds4

About 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile

2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile (PubChem CID 70772329) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
PubChem CID70772329
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCCCC1CCc1cccs1
InChIInChI=1S/C19H20N2OS/c20-14-15-6-1-2-9-18(15)19(22)21-12-4-3-7-16(21)10-11-17-8-5-13-23-17/h1-2,5-6,8-9,13,16H,3-4,7,10-12H2
InChIKeyGLVMRBVYROOFOC-UHFFFAOYSA-N
XLogP4.25
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
2-(2-butylpyrrolidine-1-carbonyl)benzonitrile
CID 91784458
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131914126
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile (CID 70772329) is 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile is N#Cc1ccccc1C(=O)N1CCCCC1CCc1cccs1.
What is the InChIKey of 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile?
The InChIKey is GLVMRBVYROOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c20-14-15-6-1-2-9-18(15)19(22)21-12-4-3-7-16(21)10-11-17-8-5-13-23-17/h1-2,5-6,8-9,13,16H,3-4,7,10-12H2.
What are the key properties of 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile?
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile has a molecular weight of 324.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 70772329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).