3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide

C24H30N2O5 — CID 24817343

IUPAC3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C24H30N2O5/c1-17(27)26-13-11-20(12-14-26)31-23-15-19(9-10-22(23)30-3)24(29)25(2)16-21(28)18-7-5-4-6-8-18/h4-10,15,20-21,28H,11-14,16H2,1-3H3
InChIKeyBDMPTTGXGYAQDR-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.89
Rot. Bonds7

About 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide

3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide (PubChem CID 24817343) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
PubChem CID24817343
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C24H30N2O5/c1-17(27)26-13-11-20(12-14-26)31-23-15-19(9-10-22(23)30-3)24(29)25(2)16-21(28)18-7-5-4-6-8-18/h4-10,15,20-21,28H,11-14,16H2,1-3H3
InChIKeyBDMPTTGXGYAQDR-UHFFFAOYSA-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

Analyze 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
CID 42556868
N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
CID 42190525
3-(1-acetylpiperidin-4-yl)oxy-N-(3-cyclopentylpropyl)-4-methoxy-N-methylbenzamide
CID 24818955
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 24792003
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 23723924
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide (CID 24817343) is 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide?
The InChIKey is BDMPTTGXGYAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-17(27)26-13-11-20(12-14-26)31-23-15-19(9-10-22(23)30-3)24(29)25(2)16-21(28)18-7-5-4-6-8-18/h4-10,15,20-21,28H,11-14,16H2,1-3H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide?
3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-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 3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 24817343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).