N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide

C35H34FN3O3 — CID 71679421

IUPACN-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCNC(=O)c3cc4cc(-c5ccc(F)cc5)c5ccccc5c4o3)CC2)c1
InChIInChI=1S/C35H34FN3O3/c1-23(40)38-29-7-4-6-26(20-29)24-14-18-39(19-15-24)17-5-16-37-35(41)33-22-27-21-32(25-10-12-28(36)13-11-25)30-8-2-3-9-31(30)34(27)42-33/h2-4,6-13,20-22,24H,5,14-19H2,1H3,(H,37,41)(H,38,40)
InChIKeyMAQXBHLKDHVVLN-UHFFFAOYSA-N
MW563.67 g/mol
LogP7.35
Rot. Bonds8

About N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide

N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 71679421) has the molecular formula C35H34FN3O3 and a molecular weight of 563.67 g/mol. Its IUPAC name is N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID71679421
Molecular FormulaC35H34FN3O3
Molecular Weight563.67 g/mol
Exact Mass563.26
IUPAC NameN-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCNC(=O)c3cc4cc(-c5ccc(F)cc5)c5ccccc5c4o3)CC2)c1
InChIInChI=1S/C35H34FN3O3/c1-23(40)38-29-7-4-6-26(20-29)24-14-18-39(19-15-24)17-5-16-37-35(41)33-22-27-21-32(25-10-12-28(36)13-11-25)30-8-2-3-9-31(30)34(27)42-33/h2-4,6-13,20-22,24H,5,14-19H2,1H3,(H,37,41)(H,38,40)
InChIKeyMAQXBHLKDHVVLN-UHFFFAOYSA-N
XLogP7.35
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.67
LogP ≤ 57.35
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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Related Compounds

N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(1-methylindol-5-yl)benzo[g][1]benzofuran-2-carboxamide
CID 71679743
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 71678923
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-bromobenzo[g][1]benzofuran-2-carboxamide
CID 72715430
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 142713770
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide
CID 142713736
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]furo[3,2-c]quinoline-2-carboxamide
CID 5307409
N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
CID 25115852
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-acetyl-6-methyl-2-oxo-4-(3,4,5-trifluorophenyl)-4,5-dihydropyrimidine-3-carboxamide
CID 91290011
2,6-dimethyl-4-[3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propylcarbamoylamino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 22911561
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide (CID 71679421) is N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide is CC(=O)Nc1cccc(C2CCN(CCCNC(=O)c3cc4cc(-c5ccc(F)cc5)c5ccccc5c4o3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is MAQXBHLKDHVVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN3O3/c1-23(40)38-29-7-4-6-26(20-29)24-14-18-39(19-15-24)17-5-16-37-35(41)33-22-27-21-32(25-10-12-28(36)13-11-25)30-8-2-3-9-31(30)34(27)42-33/h2-4,6-13,20-22,24H,5,14-19H2,1H3,(H,37,41)(H,38,40).
What are the key properties of N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide?
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 563.67 g/mol, XLogP of 7.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 71679421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).