N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

C23H26N2O2S — CID 71586090

IUPACN-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C23H26N2O2S/c26-23(25-14-6-9-17-7-2-1-3-8-17)22-21(27-18-12-15-24-16-13-18)19-10-4-5-11-20(19)28-22/h1-5,7-8,10-11,18,24H,6,9,12-16H2,(H,25,26)
InChIKeyZJWCKBQFMRUZPC-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.39
Rot. Bonds7

About N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 71586090) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
PubChem CID71586090
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C23H26N2O2S/c26-23(25-14-6-9-17-7-2-1-3-8-17)22-21(27-18-12-15-24-16-13-18)19-10-4-5-11-20(19)28-22/h1-5,7-8,10-11,18,24H,6,9,12-16H2,(H,25,26)
InChIKeyZJWCKBQFMRUZPC-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (CID 71586090) is N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is O=C(NCCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1.
What is the InChIKey of N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is ZJWCKBQFMRUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c26-23(25-14-6-9-17-7-2-1-3-8-17)22-21(27-18-12-15-24-16-13-18)19-10-4-5-11-20(19)28-22/h1-5,7-8,10-11,18,24H,6,9,12-16H2,(H,25,26).
What are the key properties of N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71586090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).