N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide

C15H21N2O2+ — CID 8894869

IUPACN-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESCC(=O)c1ccccc1NC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-12(18)13-7-3-4-8-14(13)16-15(19)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,19)/p+1
InChIKeyPXIPFQMRLCEGRZ-UHFFFAOYSA-O
MW261.35 g/mol
LogP0.90
Rot. Bonds4

About N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide

N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 8894869) has the molecular formula C15H21N2O2+ and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
PubChem CID8894869
Molecular FormulaC15H21N2O2+
Molecular Weight261.35 g/mol
Exact Mass261.16
IUPAC NameN-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESCC(=O)c1ccccc1NC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-12(18)13-7-3-4-8-14(13)16-15(19)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,19)/p+1
InChIKeyPXIPFQMRLCEGRZ-UHFFFAOYSA-O
XLogP0.90
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[2-(2-acetylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
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N-(2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide
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N-(2-chloro-3-pyridinyl)-2-piperidin-1-ium-1-ylacetamide
CID 7784525
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
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2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
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CID 30891872
N-(2-acetylphenyl)-2-cyclohexyloxyacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide (CID 8894869) is N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide is CC(=O)c1ccccc1NC(=O)C[NH+]1CCCCC1.
What is the InChIKey of N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is PXIPFQMRLCEGRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O2/c1-12(18)13-7-3-4-8-14(13)16-15(19)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,19)/p+1.
What are the key properties of N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide?
N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 261.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 8894869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).