N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide

C24H28N2OS — CID 122188498

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2s1
InChIInChI=1S/C24H28N2OS/c27-24(23-18-21-9-4-5-10-22(21)28-23)25-13-6-14-26-15-11-20(12-16-26)17-19-7-2-1-3-8-19/h1-5,7-10,18,20H,6,11-17H2,(H,25,27)
InChIKeyPWJHFYJVKXVMET-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.98
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide (PubChem CID 122188498) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide
PubChem CID122188498
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2s1
InChIInChI=1S/C24H28N2OS/c27-24(23-18-21-9-4-5-10-22(21)28-23)25-13-6-14-26-15-11-20(12-16-26)17-19-7-2-1-3-8-19/h1-5,7-10,18,20H,6,11-17H2,(H,25,27)
InChIKeyPWJHFYJVKXVMET-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide (CID 122188498) is N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2s1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PWJHFYJVKXVMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c27-24(23-18-21-9-4-5-10-22(21)28-23)25-13-6-14-26-15-11-20(12-16-26)17-19-7-2-1-3-8-19/h1-5,7-10,18,20H,6,11-17H2,(H,25,27).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122188498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).