2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide

C20H25N2O2+ — CID 6941185

IUPAC2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-16-6-5-13-22(14-16)15-20(23)21-17-9-11-19(12-10-17)24-18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1
InChIKeyCQUBGBZSMXDPTM-INIZCTEOSA-O
MW325.43 g/mol
LogP2.73
Rot. Bonds5

About 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide

2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 6941185) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID6941185
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O2/c1-16-6-5-13-22(14-16)15-20(23)21-17-9-11-19(12-10-17)24-18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1
InChIKeyCQUBGBZSMXDPTM-INIZCTEOSA-O
XLogP2.73
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 8899985
N-(3-chloro-4-fluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681737
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409695
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903337
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7436741

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 6941185) is 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide is C[C@H]1CCC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is CQUBGBZSMXDPTM-INIZCTEOSA-O. The full InChI is InChI=1S/C20H24N2O2/c1-16-6-5-13-22(14-16)15-20(23)21-17-9-11-19(12-10-17)24-18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 6941185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).