1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one

C20H30N2O3 — CID 124738755

IUPAC1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C20H30N2O3/c1-15-7-5-9-18(17-8-3-4-10-19(17)25-2)22(15)14-16(23)13-21-12-6-11-20(21)24/h3-4,8,10,15-16,18,23H,5-7,9,11-14H2,1-2H3/t15-,16+,18-/m1/s1
InChIKeyRPZLUEYMCCULTN-SOLBZPMBSA-N
MW346.47 g/mol
LogP2.59
Rot. Bonds6

About 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one

1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 124738755) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID124738755
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C20H30N2O3/c1-15-7-5-9-18(17-8-3-4-10-19(17)25-2)22(15)14-16(23)13-21-12-6-11-20(21)24/h3-4,8,10,15-16,18,23H,5-7,9,11-14H2,1-2H3/t15-,16+,18-/m1/s1
InChIKeyRPZLUEYMCCULTN-SOLBZPMBSA-N
XLogP2.59
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one (CID 124738755) is 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one is COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@@H](O)CN1CCCC1=O.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is RPZLUEYMCCULTN-SOLBZPMBSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-7-5-9-18(17-8-3-4-10-19(17)25-2)22(15)14-16(23)13-21-12-6-11-20(21)24/h3-4,8,10,15-16,18,23H,5-7,9,11-14H2,1-2H3/t15-,16+,18-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one?
1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 346.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 124738755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).