4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide

C20H32N2O4S — CID 26316423

IUPAC4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)CSC)CC1
InChIInChI=1S/C20H32N2O4S/c1-15(14-27-4)22-10-7-16(8-11-22)26-19-13-17(25-3)5-6-18(19)20(23)21-9-12-24-2/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyLJVABRPDKDOMFF-HNNXBMFYSA-N
MW396.55 g/mol
LogP2.67
Rot. Bonds10

About 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide

4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide (PubChem CID 26316423) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
PubChem CID26316423
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Name4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)CSC)CC1
InChIInChI=1S/C20H32N2O4S/c1-15(14-27-4)22-10-7-16(8-11-22)26-19-13-17(25-3)5-6-18(19)20(23)21-9-12-24-2/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyLJVABRPDKDOMFF-HNNXBMFYSA-N
XLogP2.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42403030
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25457226
2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42298282
2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25384356
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 26406468
4-methoxy-N-(2-methoxyethyl)-2-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
CID 26404278
4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25458744
N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25459724
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide (CID 26316423) is 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide is COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)CSC)CC1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide?
The InChIKey is LJVABRPDKDOMFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-15(14-27-4)22-10-7-16(8-11-22)26-19-13-17(25-3)5-6-18(19)20(23)21-9-12-24-2/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide?
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide has a molecular weight of 396.55 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 26316423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).