N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C24H29FN2O3 — CID 42475687

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1coc2c1C(=O)CCC2
InChIInChI=1S/C24H29FN2O3/c1-26(24(29)20-16-30-22-4-2-3-21(28)23(20)22)15-18-10-13-27(14-11-18)12-9-17-5-7-19(25)8-6-17/h5-8,16,18H,2-4,9-15H2,1H3
InChIKeyDVFRAZPJTYWSSO-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.96
Rot. Bonds6

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 42475687) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID42475687
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1coc2c1C(=O)CCC2
InChIInChI=1S/C24H29FN2O3/c1-26(24(29)20-16-30-22-4-2-3-21(28)23(20)22)15-18-10-13-27(14-11-18)12-9-17-5-7-19(25)8-6-17/h5-8,16,18H,2-4,9-15H2,1H3
InChIKeyDVFRAZPJTYWSSO-UHFFFAOYSA-N
XLogP3.96
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 42475687) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1coc2c1C(=O)CCC2.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is DVFRAZPJTYWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-26(24(29)20-16-30-22-4-2-3-21(28)23(20)22)15-18-10-13-27(14-11-18)12-9-17-5-7-19(25)8-6-17/h5-8,16,18H,2-4,9-15H2,1H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 42475687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).