4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one

C17H24N2O2 — CID 162533419

IUPAC4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one
SMILESCc1ccccc1C1CC(N2CCOC[C@H]2C)CC(=O)N1
InChIInChI=1S/C17H24N2O2/c1-12-5-3-4-6-15(12)16-9-14(10-17(20)18-16)19-7-8-21-11-13(19)2/h3-6,13-14,16H,7-11H2,1-2H3,(H,18,20)/t13-,14?,16?/m1/s1
InChIKeyRQEBNRHJYHXZNF-VQCLRJIVSA-N
MW288.39 g/mol
LogP2.04
Rot. Bonds2

About 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one

4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one (PubChem CID 162533419) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one
PubChem CID162533419
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one
SMILESCc1ccccc1C1CC(N2CCOC[C@H]2C)CC(=O)N1
InChIInChI=1S/C17H24N2O2/c1-12-5-3-4-6-15(12)16-9-14(10-17(20)18-16)19-7-8-21-11-13(19)2/h3-6,13-14,16H,7-11H2,1-2H3,(H,18,20)/t13-,14?,16?/m1/s1
InChIKeyRQEBNRHJYHXZNF-VQCLRJIVSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one?
The IUPAC name of 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one (CID 162533419) is 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one.
What is the SMILES notation for 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one?
The canonical SMILES for 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one is Cc1ccccc1C1CC(N2CCOC[C@H]2C)CC(=O)N1.
What is the InChIKey of 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one?
The InChIKey is RQEBNRHJYHXZNF-VQCLRJIVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-3-4-6-15(12)16-9-14(10-17(20)18-16)19-7-8-21-11-13(19)2/h3-6,13-14,16H,7-11H2,1-2H3,(H,18,20)/t13-,14?,16?/m1/s1.
What are the key properties of 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one?
4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylmorpholin-4-yl]-6-(2-methylphenyl)piperidin-2-one is sourced from PubChem (CID 162533419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).