2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C33H32N4O2 — CID 44535545

IUPAC2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)C(c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H32N4O2/c38-33(35-24-28-16-9-10-18-34-28)32(30-23-27-15-7-8-17-29(27)39-30)37-21-19-36(20-22-37)31(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,23,31-32H,19-22,24H2,(H,35,38)
InChIKeyZNKBXKUQVCYCOP-UHFFFAOYSA-N
MW516.65 g/mol
LogP5.59
Rot. Bonds8

About 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 44535545) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID44535545
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)C(c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H32N4O2/c38-33(35-24-28-16-9-10-18-34-28)32(30-23-27-15-7-8-17-29(27)39-30)37-21-19-36(20-22-37)31(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,23,31-32H,19-22,24H2,(H,35,38)
InChIKeyZNKBXKUQVCYCOP-UHFFFAOYSA-N
XLogP5.59
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bradanicline
CID 25147644
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{[5-(pyridin-2-yl)furan-2-yl]methyl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10122981
(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-3-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10233723
(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}-4-(pyridin-4-ylmethyl)butyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10233724
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
[7-Benzyl-2-(5-Fluoro-2-Methylphenoxy)-1-Phenyl-1h-Pyrrolo[2,3-C]pyridin-3-Yl](Piperazin-1-Yl)methanone
CID 53346499
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
5-((2S)-2-(N-(tert-Butyl)carbamoyl)-4-(1-furano(4,5-c)pyridin-2-yl-isopropyl)piperazinyl)(4S,2R)-N-((3S,4S)-3-hydroxychroman-4-yl)-4-hydroxy-2-benzylpentanamide
CID 493820
5-((2S)-2-(N-ethylcarbamoyl)-4-(1-furano(4,5-c)pyridin-2-yl-isopropyl)piperazinyl)(4S,2R)-N-((3S,4S)-3-hydroxychroman-4-yl)-4-hydroxy-2-benzylpentanamide
CID 493822

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 44535545) is 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(NCc1ccccn1)C(c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZNKBXKUQVCYCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c38-33(35-24-28-16-9-10-18-34-28)32(30-23-27-15-7-8-17-29(27)39-30)37-21-19-36(20-22-37)31(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,23,31-32H,19-22,24H2,(H,35,38).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 516.65 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 44535545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).