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

C17H17N3OS — CID 12584111

IUPAC4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)sc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C17H17N3OS/c18-11-13-14(19)16(15(21)12-7-3-1-4-8-12)22-17(13)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10,19H2
InChIKeyMIEFEWSDSWVPEN-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.42
Rot. Bonds3

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

4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile (PubChem CID 12584111) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile
PubChem CID12584111
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCCC2)sc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C17H17N3OS/c18-11-13-14(19)16(15(21)12-7-3-1-4-8-12)22-17(13)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10,19H2
InChIKeyMIEFEWSDSWVPEN-UHFFFAOYSA-N
XLogP3.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile (CID 12584111) is 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile is N#Cc1c(N2CCCCC2)sc(C(=O)c2ccccc2)c1N.
What is the InChIKey of 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile?
The InChIKey is MIEFEWSDSWVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-11-13-14(19)16(15(21)12-7-3-1-4-8-12)22-17(13)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10,19H2.
What are the key properties of 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile?
4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile has a molecular weight of 311.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile is sourced from PubChem (CID 12584111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).