2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide

C24H25N3O2 — CID 108551296

IUPAC2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(18-19-6-2-1-3-7-19)25-21-12-16-27(17-13-21)24(29)20-8-10-22(11-9-20)26-14-4-5-15-26/h1-11,14-15,21H,12-13,16-18H2,(H,25,28)
InChIKeyZKQVVGPHFACUHL-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.44
Rot. Bonds5

About 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide

2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 108551296) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
PubChem CID108551296
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(18-19-6-2-1-3-7-19)25-21-12-16-27(17-13-21)24(29)20-8-10-22(11-9-20)26-14-4-5-15-26/h1-11,14-15,21H,12-13,16-18H2,(H,25,28)
InChIKeyZKQVVGPHFACUHL-UHFFFAOYSA-N
XLogP3.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585
2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 166324544
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548177
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553254
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide (CID 108551296) is 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide is O=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is ZKQVVGPHFACUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(18-19-6-2-1-3-7-19)25-21-12-16-27(17-13-21)24(29)20-8-10-22(11-9-20)26-14-4-5-15-26/h1-11,14-15,21H,12-13,16-18H2,(H,25,28).
What are the key properties of 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide?
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108551296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).