4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile

C19H17N3S — CID 171323948

IUPAC4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C19H17N3S/c20-14-19(15-4-2-1-3-5-15)8-11-22(12-9-19)18-16-7-13-23-17(16)6-10-21-18/h1-7,10,13H,8-9,11-12H2
InChIKeySKQMPSXXCYUXNK-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.36
Rot. Bonds2

About 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile

4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile (PubChem CID 171323948) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile
PubChem CID171323948
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C19H17N3S/c20-14-19(15-4-2-1-3-5-15)8-11-22(12-9-19)18-16-7-13-23-17(16)6-10-21-18/h1-7,10,13H,8-9,11-12H2
InChIKeySKQMPSXXCYUXNK-UHFFFAOYSA-N
XLogP4.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphthalazin-1-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980885
1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980890
1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
CID 155975178
3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid
CID 166267507
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
CID 175651313
5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 163344797
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
CID 163665844
CID 163665844
1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 134713638
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile (CID 171323948) is 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2nccc3sccc23)CC1.
What is the InChIKey of 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile?
The InChIKey is SKQMPSXXCYUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c20-14-19(15-4-2-1-3-5-15)8-11-22(12-9-19)18-16-7-13-23-17(16)6-10-21-18/h1-7,10,13H,8-9,11-12H2.
What are the key properties of 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile?
4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile has a molecular weight of 319.43 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 171323948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).