3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide

C24H28N4O2 — CID 42291468

IUPAC3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(C(=O)CCn2cnc3ccccc32)CC1)Nc1ccccc1
InChIInChI=1S/C24H28N4O2/c29-23(26-20-6-2-1-3-7-20)11-10-19-12-15-27(16-13-19)24(30)14-17-28-18-25-21-8-4-5-9-22(21)28/h1-9,18-19H,10-17H2,(H,26,29)
InChIKeyXROYPESFZHLENE-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.08
Rot. Bonds7

About 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide

3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 42291468) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID42291468
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(C(=O)CCn2cnc3ccccc32)CC1)Nc1ccccc1
InChIInChI=1S/C24H28N4O2/c29-23(26-20-6-2-1-3-7-20)11-10-19-12-15-27(16-13-19)24(30)14-17-28-18-25-21-8-4-5-9-22(21)28/h1-9,18-19H,10-17H2,(H,26,29)
InChIKeyXROYPESFZHLENE-UHFFFAOYSA-N
XLogP4.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
3-(benzimidazol-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622650
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 45212166
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117922
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide (CID 42291468) is 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide is O=C(CCC1CCN(C(=O)CCn2cnc3ccccc32)CC1)Nc1ccccc1.
What is the InChIKey of 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is XROYPESFZHLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(26-20-6-2-1-3-7-20)11-10-19-12-15-27(16-13-19)24(30)14-17-28-18-25-21-8-4-5-9-22(21)28/h1-9,18-19H,10-17H2,(H,26,29).
What are the key properties of 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide?
3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 42291468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).