2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid

C25H28N2O6 — CID 110160256

IUPAC2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESCC1(C2CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC2)CN(c2ccccc2)C(=O)CO1
InChIInChI=1S/C25H28N2O6/c1-25(17-27(22(28)15-33-25)20-5-3-2-4-6-20)19-11-13-26(14-12-19)24(31)18-7-9-21(10-8-18)32-16-23(29)30/h2-10,19H,11-17H2,1H3,(H,29,30)
InChIKeyKUTKHBKHVUHGKP-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.82
Rot. Bonds6

About 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid

2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 110160256) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid
PubChem CID110160256
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESCC1(C2CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC2)CN(c2ccccc2)C(=O)CO1
InChIInChI=1S/C25H28N2O6/c1-25(17-27(22(28)15-33-25)20-5-3-2-4-6-20)19-11-13-26(14-12-19)24(31)18-7-9-21(10-8-18)32-16-23(29)30/h2-10,19H,11-17H2,1H3,(H,29,30)
InChIKeyKUTKHBKHVUHGKP-UHFFFAOYSA-N
XLogP2.82
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 124973649
2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 125009330
3-[[2-[4-[(2S)-2-methyl-5-oxo-4-phenylmorpholin-2-yl]piperidin-1-yl]acetyl]amino]benzoic acid
CID 124993571
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
CID 136552724
2-[4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552207
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
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914
(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97090718
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 136552167
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid (CID 110160256) is 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid is CC1(C2CCN(C(=O)c3ccc(OCC(=O)O)cc3)CC2)CN(c2ccccc2)C(=O)CO1.
What is the InChIKey of 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is KUTKHBKHVUHGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(17-27(22(28)15-33-25)20-5-3-2-4-6-20)19-11-13-26(14-12-19)24(31)18-7-9-21(10-8-18)32-16-23(29)30/h2-10,19H,11-17H2,1H3,(H,29,30).
What are the key properties of 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid?
2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 452.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methyl-5-oxo-4-phenylmorpholin-2-yl)piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 110160256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).