4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile

C16H17N3S — CID 15257191

IUPAC4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)sc(-c2ccccc2)c1N
InChIInChI=1S/C16H17N3S/c17-11-13-14(18)15(12-7-3-1-4-8-12)20-16(13)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,18H2
InChIKeyLEXBZTXNHGWVOZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.86
Rot. Bonds2

About 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile

4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile (PubChem CID 15257191) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile
PubChem CID15257191
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)sc(-c2ccccc2)c1N
InChIInChI=1S/C16H17N3S/c17-11-13-14(18)15(12-7-3-1-4-8-12)20-16(13)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,18H2
InChIKeyLEXBZTXNHGWVOZ-UHFFFAOYSA-N
XLogP3.86
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile (CID 15257191) is 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile is N#Cc1c(N2CCCCC2)sc(-c2ccccc2)c1N.
What is the InChIKey of 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile?
The InChIKey is LEXBZTXNHGWVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-11-13-14(18)15(12-7-3-1-4-8-12)20-16(13)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-10,18H2.
What are the key properties of 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile?
4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenyl-2-piperidin-1-ylthiophene-3-carbonitrile is sourced from PubChem (CID 15257191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).