2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile

C19H17ClN2S — CID 75238368

IUPAC2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1N1CCC(=CC=Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClN2S/c20-18-6-2-5-16(13-18)4-1-3-15-7-10-22(11-8-15)19-17(14-21)9-12-23-19/h1-6,9,12-13H,7-8,10-11H2
InChIKeyRTVOYGIOQAQJME-UHFFFAOYSA-N
MW340.88 g/mol
LogP5.51
Rot. Bonds3

About 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile

2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile (PubChem CID 75238368) has the molecular formula C19H17ClN2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile
PubChem CID75238368
Molecular FormulaC19H17ClN2S
Molecular Weight340.88 g/mol
Exact Mass340.08
IUPAC Name2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1N1CCC(=CC=Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClN2S/c20-18-6-2-5-16(13-18)4-1-3-15-7-10-22(11-8-15)19-17(14-21)9-12-23-19/h1-6,9,12-13H,7-8,10-11H2
InChIKeyRTVOYGIOQAQJME-UHFFFAOYSA-N
XLogP5.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile?
The IUPAC name of 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile (CID 75238368) is 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile is N#Cc1ccsc1N1CCC(=CC=Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile?
The InChIKey is RTVOYGIOQAQJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2S/c20-18-6-2-5-16(13-18)4-1-3-15-7-10-22(11-8-15)19-17(14-21)9-12-23-19/h1-6,9,12-13H,7-8,10-11H2.
What are the key properties of 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile?
2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile has a molecular weight of 340.88 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-chlorophenyl)prop-2-enylidene]piperidin-1-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 75238368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).