(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one

C20H28N2O4 — CID 97269882

IUPAC(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(OCC2CCN(C(=O)CN3C(=O)CC[C@H]3C)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-15-3-8-19(23)22(15)13-20(24)21-11-9-16(10-12-21)14-26-18-6-4-17(25-2)5-7-18/h4-7,15-16H,3,8-14H2,1-2H3/t15-/m1/s1
InChIKeyQRKRXYMLHWFMBE-OAHLLOKOSA-N
MW360.45 g/mol
LogP2.32
Rot. Bonds6

About (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one

(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one (PubChem CID 97269882) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
PubChem CID97269882
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(OCC2CCN(C(=O)CN3C(=O)CC[C@H]3C)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-15-3-8-19(23)22(15)13-20(24)21-11-9-16(10-12-21)14-26-18-6-4-17(25-2)5-7-18/h4-7,15-16H,3,8-14H2,1-2H3/t15-/m1/s1
InChIKeyQRKRXYMLHWFMBE-OAHLLOKOSA-N
XLogP2.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one (CID 97269882) is (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one is COc1ccc(OCC2CCN(C(=O)CN3C(=O)CC[C@H]3C)CC2)cc1.
What is the InChIKey of (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
The InChIKey is QRKRXYMLHWFMBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-3-8-19(23)22(15)13-20(24)21-11-9-16(10-12-21)14-26-18-6-4-17(25-2)5-7-18/h4-7,15-16H,3,8-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one has a molecular weight of 360.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 97269882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).