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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Related Compounds

N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-phenylthiophene-2-carboxamide
CID 10291446
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 10166998
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10281234
N-[1-[[(2R)-1-oxo-3-phenyl-1-(3-thiomorpholin-4-ylpropylamino)propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23625950
N-[1-[[(2R)-1-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23626108
N-[1-[[(2R)-1-oxo-3-phenyl-1-[3-(4-sulfamoylpiperazin-1-yl)propylamino]propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23626110
N-[1-[[(2R)-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 44434191
N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 46236387
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734129
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508

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).