3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide

C21H26N2O3 — CID 69155626

IUPAC3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide
SMILESCNC(=O)c1ccc(OC[C@@H]2CNCC[C@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-22-21(24)16-8-9-19(20(12-16)25-2)26-14-17-13-23-11-10-18(17)15-6-4-3-5-7-15/h3-9,12,17-18,23H,10-11,13-14H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyHNWNUYBZKLKWAA-ROUUACIJSA-N
MW354.45 g/mol
LogP2.83
Rot. Bonds6

About 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide

3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide (PubChem CID 69155626) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide
PubChem CID69155626
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide
SMILESCNC(=O)c1ccc(OC[C@@H]2CNCC[C@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-22-21(24)16-8-9-19(20(12-16)25-2)26-14-17-13-23-11-10-18(17)15-6-4-3-5-7-15/h3-9,12,17-18,23H,10-11,13-14H2,1-2H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyHNWNUYBZKLKWAA-ROUUACIJSA-N
XLogP2.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide (CID 69155626) is 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide is CNC(=O)c1ccc(OC[C@@H]2CNCC[C@H]2c2ccccc2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide?
The InChIKey is HNWNUYBZKLKWAA-ROUUACIJSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22-21(24)16-8-9-19(20(12-16)25-2)26-14-17-13-23-11-10-18(17)15-6-4-3-5-7-15/h3-9,12,17-18,23H,10-11,13-14H2,1-2H3,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide?
3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 69155626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).