2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid

C26H30N2O6 — CID 124973649

IUPAC2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid
SMILESC[C@@]1(C2CCN(C(=O)c3ccccc3OCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1
InChIInChI=1S/C26H30N2O6/c1-26(18-28(23(29)16-34-26)15-19-7-3-2-4-8-19)20-11-13-27(14-12-20)25(32)21-9-5-6-10-22(21)33-17-24(30)31/h2-10,20H,11-18H2,1H3,(H,30,31)/t26-/m0/s1
InChIKeyKLOPAAKLHHTFAB-SANMLTNESA-N
MW466.53 g/mol
LogP2.82
Rot. Bonds7

About 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid

2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 124973649) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid
PubChem CID124973649
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid
SMILESC[C@@]1(C2CCN(C(=O)c3ccccc3OCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1
InChIInChI=1S/C26H30N2O6/c1-26(18-28(23(29)16-34-26)15-19-7-3-2-4-8-19)20-11-13-27(14-12-20)25(32)21-9-5-6-10-22(21)33-17-24(30)31/h2-10,20H,11-18H2,1H3,(H,30,31)/t26-/m0/s1
InChIKeyKLOPAAKLHHTFAB-SANMLTNESA-N
XLogP2.82
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidin-1-yl]acetamide
CID 124950770
2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 125009330
2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 110160256
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 46417857
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815
2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 124964056
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
(5S)-3-benzyl-5-[1-[3-(imidazol-1-ylmethyl)benzoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 129457134
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 132773198
2-[2-[(1S,10S,12R,17S)-9,9-dimethyl-8,18-dioxa-14-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene-14-carbonyl]phenoxy]acetic acid
CID 110148029

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid (CID 124973649) is 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid is C[C@@]1(C2CCN(C(=O)c3ccccc3OCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)CO1.
What is the InChIKey of 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is KLOPAAKLHHTFAB-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N2O6/c1-26(18-28(23(29)16-34-26)15-19-7-3-2-4-8-19)20-11-13-27(14-12-20)25(32)21-9-5-6-10-22(21)33-17-24(30)31/h2-10,20H,11-18H2,1H3,(H,30,31)/t26-/m0/s1.
What are the key properties of 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid?
2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 466.53 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 124973649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).