N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide

C33H32N4O3 — CID 72715352

IUPACN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCNC(=O)c3cc4cc(-c5ccncc5)c5ccccc5c4o3)CC2)c1
InChIInChI=1S/C33H32N4O3/c1-22(38)36-27-6-4-5-25(19-27)23-11-16-37(17-12-23)18-15-35-33(39)31-21-26-20-30(24-9-13-34-14-10-24)28-7-2-3-8-29(28)32(26)40-31/h2-10,13-14,19-21,23H,11-12,15-18H2,1H3,(H,35,39)(H,36,38)
InChIKeyKFXQNHZULSOCEW-UHFFFAOYSA-N
MW532.64 g/mol
LogP6.22
Rot. Bonds7

About N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide

N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 72715352) has the molecular formula C33H32N4O3 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID72715352
Molecular FormulaC33H32N4O3
Molecular Weight532.64 g/mol
Exact Mass532.25
IUPAC NameN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCNC(=O)c3cc4cc(-c5ccncc5)c5ccccc5c4o3)CC2)c1
InChIInChI=1S/C33H32N4O3/c1-22(38)36-27-6-4-5-25(19-27)23-11-16-37(17-12-23)18-15-35-33(39)31-21-26-20-30(24-9-13-34-14-10-24)28-7-2-3-8-29(28)32(26)40-31/h2-10,13-14,19-21,23H,11-12,15-18H2,1H3,(H,35,39)(H,36,38)
InChIKeyKFXQNHZULSOCEW-UHFFFAOYSA-N
XLogP6.22
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bradanicline
CID 25147644
5-(2-Morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((S)-3-methyl-1-{(S)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
CID 5287549
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
CID 16727410
CID 16727410
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
N-[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 46935872
N-(2-fluorophenyl)-4-[5-[(3,6,7-trimethyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917634
4-[5-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917635

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide (CID 72715352) is N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide is CC(=O)Nc1cccc(C2CCN(CCNC(=O)c3cc4cc(-c5ccncc5)c5ccccc5c4o3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is KFXQNHZULSOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O3/c1-22(38)36-27-6-4-5-25(19-27)23-11-16-37(17-12-23)18-15-35-33(39)31-21-26-20-30(24-9-13-34-14-10-24)28-7-2-3-8-29(28)32(26)40-31/h2-10,13-14,19-21,23H,11-12,15-18H2,1H3,(H,35,39)(H,36,38).
What are the key properties of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 72715352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).