2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide

C24H30N2O5 — CID 42556868

IUPAC2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C24H30N2O5/c1-17(27)26-13-11-19(12-14-26)31-23-10-9-20(30-3)15-21(23)24(29)25(2)16-22(28)18-7-5-4-6-8-18/h4-10,15,19,22,28H,11-14,16H2,1-3H3/t22-/m0/s1
InChIKeyIFJLVYCSDJMJGL-QFIPXVFZSA-N
MW426.51 g/mol
LogP2.89
Rot. Bonds7

About 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide

2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide (PubChem CID 42556868) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
PubChem CID42556868
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C24H30N2O5/c1-17(27)26-13-11-19(12-14-26)31-23-10-9-20(30-3)15-21(23)24(29)25(2)16-22(28)18-7-5-4-6-8-18/h4-10,15,19,22,28H,11-14,16H2,1-3H3/t22-/m0/s1
InChIKeyIFJLVYCSDJMJGL-QFIPXVFZSA-N
XLogP2.89
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
CID 24817343
N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
CID 42190525
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
CID 42241187
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
CID 56700795
[4-methoxy-2-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26409730

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide (CID 42556868) is 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide is COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H](O)c2ccccc2)c1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide?
The InChIKey is IFJLVYCSDJMJGL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-17(27)26-13-11-19(12-14-26)31-23-10-9-20(30-3)15-21(23)24(29)25(2)16-22(28)18-7-5-4-6-8-18/h4-10,15,19,22,28H,11-14,16H2,1-3H3/t22-/m0/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide?
2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide has a molecular weight of 426.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 42556868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).