N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

C21H22N2O2S — CID 71545543

IUPACN-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C21H22N2O2S/c24-21(23-14-15-6-2-1-3-7-15)20-19(25-16-10-12-22-13-11-16)17-8-4-5-9-18(17)26-20/h1-9,16,22H,10-14H2,(H,23,24)
InChIKeyXKXVKNXNCCZXMQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 71545543) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
PubChem CID71545543
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C21H22N2O2S/c24-21(23-14-15-6-2-1-3-7-15)20-19(25-16-10-12-22-13-11-16)17-8-4-5-9-18(17)26-20/h1-9,16,22H,10-14H2,(H,23,24)
InChIKeyXKXVKNXNCCZXMQ-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (CID 71545543) is N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is O=C(NCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1.
What is the InChIKey of N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is XKXVKNXNCCZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-21(23-14-15-6-2-1-3-7-15)20-19(25-16-10-12-22-13-11-16)17-8-4-5-9-18(17)26-20/h1-9,16,22H,10-14H2,(H,23,24).
What are the key properties of N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71545543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).