piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate

C20H20N2O2S — CID 130176395

IUPACpiperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate
SMILESO=C(Nc1sc2ccccc2c1-c1ccccc1)OC1CCNCC1
InChIInChI=1S/C20H20N2O2S/c23-20(24-15-10-12-21-13-11-15)22-19-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-19/h1-9,15,21H,10-13H2,(H,22,23)
InChIKeyAICOKZUCOFNENU-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.87
Rot. Bonds3

About piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate

piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate (PubChem CID 130176395) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate
PubChem CID130176395
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Namepiperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate
SMILESO=C(Nc1sc2ccccc2c1-c1ccccc1)OC1CCNCC1
InChIInChI=1S/C20H20N2O2S/c23-20(24-15-10-12-21-13-11-15)22-19-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-19/h1-9,15,21H,10-13H2,(H,22,23)
InChIKeyAICOKZUCOFNENU-UHFFFAOYSA-N
XLogP4.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate?
The IUPAC name of piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate (CID 130176395) is piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate.
What is the SMILES notation for piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate?
The canonical SMILES for piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate is O=C(Nc1sc2ccccc2c1-c1ccccc1)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate?
The InChIKey is AICOKZUCOFNENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-20(24-15-10-12-21-13-11-15)22-19-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-19/h1-9,15,21H,10-13H2,(H,22,23).
What are the key properties of piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate?
piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate has a molecular weight of 352.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-(3-phenyl-1-benzothiophen-2-yl)carbamate is sourced from PubChem (CID 130176395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).