4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid

C21H31NO5 — CID 142744554

IUPAC4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid
SMILESCC1(C)CCCC(C)(C)N1OCc1ccc(COC(=O)CCC(=O)O)cc1
InChIInChI=1S/C21H31NO5/c1-20(2)12-5-13-21(3,4)22(20)27-15-17-8-6-16(7-9-17)14-26-19(25)11-10-18(23)24/h6-9H,5,10-15H2,1-4H3,(H,23,24)
InChIKeyKEEAPLZHXCSCKF-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.07
Rot. Bonds8

About 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid

4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid (PubChem CID 142744554) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid
PubChem CID142744554
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Name4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid
SMILESCC1(C)CCCC(C)(C)N1OCc1ccc(COC(=O)CCC(=O)O)cc1
InChIInChI=1S/C21H31NO5/c1-20(2)12-5-13-21(3,4)22(20)27-15-17-8-6-16(7-9-17)14-26-19(25)11-10-18(23)24/h6-9H,5,10-15H2,1-4H3,(H,23,24)
InChIKeyKEEAPLZHXCSCKF-UHFFFAOYSA-N
XLogP4.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid with MolForge

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Related Compounds

methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methoxy]-4-oxobutanoic acid
CID 144823163
1-O-benzyl 4-O-(methylsulfanylmethyl) butanedioate
CID 71377302
benzyl butanoate;propanoic acid
CID 175271849
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
benzyl 3-(azetidin-1-yl)propanoate
CID 156875495
bis[(4-bromophenyl)methyl] butanedioate
CID 91729053
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine
CID 102127816
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
dibenzyl 4-oxoheptanedioate
CID 14639376
(2S)-2-[(3-oxo-3-phenylmethoxypropyl)amino]pentanedioic acid
CID 67577410

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid?
The IUPAC name of 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid (CID 142744554) is 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid?
The canonical SMILES for 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid is CC1(C)CCCC(C)(C)N1OCc1ccc(COC(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid?
The InChIKey is KEEAPLZHXCSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5/c1-20(2)12-5-13-21(3,4)22(20)27-15-17-8-6-16(7-9-17)14-26-19(25)11-10-18(23)24/h6-9H,5,10-15H2,1-4H3,(H,23,24).
What are the key properties of 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid?
4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid has a molecular weight of 377.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methoxy]butanoic acid is sourced from PubChem (CID 142744554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).