2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide

C23H30N2O2 — CID 51947454

IUPAC2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1ccccc1CC(=O)NCc1ccccc1CN1CCCC[C@H]1C
InChIInChI=1S/C23H30N2O2/c1-18-9-7-8-14-25(18)17-21-12-4-3-11-20(21)16-24-23(26)15-19-10-5-6-13-22(19)27-2/h3-6,10-13,18H,7-9,14-17H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyOIQDRHMAHCTPNW-GOSISDBHSA-N
MW366.51 g/mol
LogP3.93
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide

2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 51947454) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID51947454
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCOc1ccccc1CC(=O)NCc1ccccc1CN1CCCC[C@H]1C
InChIInChI=1S/C23H30N2O2/c1-18-9-7-8-14-25(18)17-21-12-4-3-11-20(21)16-24-23(26)15-19-10-5-6-13-22(19)27-2/h3-6,10-13,18H,7-9,14-17H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyOIQDRHMAHCTPNW-GOSISDBHSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide (CID 51947454) is 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide is COc1ccccc1CC(=O)NCc1ccccc1CN1CCCC[C@H]1C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is OIQDRHMAHCTPNW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-9-7-8-14-25(18)17-21-12-4-3-11-20(21)16-24-23(26)15-19-10-5-6-13-22(19)27-2/h3-6,10-13,18H,7-9,14-17H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide?
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 51947454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).