4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide

C20H25N2O+ — CID 7346826

IUPAC4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c23-20(21-13-16-22-14-5-2-6-15-22)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)/p+1
InChIKeyXMVFAHQBMBZBQI-UHFFFAOYSA-O
MW309.43 g/mol
LogP2.15
Rot. Bonds5

About 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide

4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide (PubChem CID 7346826) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
PubChem CID7346826
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC Name4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c23-20(21-13-16-22-14-5-2-6-15-22)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)/p+1
InChIKeyXMVFAHQBMBZBQI-UHFFFAOYSA-O
XLogP2.15
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butyl-4-phenylbenzamide
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2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
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N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide
CID 9091098
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
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CID 4787941

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The IUPAC name of 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide (CID 7346826) is 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The canonical SMILES for 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide is O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The InChIKey is XMVFAHQBMBZBQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O/c23-20(21-13-16-22-14-5-2-6-15-22)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)/p+1.
What are the key properties of 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide has a molecular weight of 309.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide is sourced from PubChem (CID 7346826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).