5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid

C18H24N2O5 — CID 122117109

IUPAC5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid
SMILESCNC(=O)COc1cccc(CC(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C18H24N2O5/c1-12-6-14(18(23)24)10-20(9-12)17(22)8-13-4-3-5-15(7-13)25-11-16(21)19-2/h3-5,7,12,14H,6,8-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyRSUAWMSKJRBZJU-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.92
Rot. Bonds6

About 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid

5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid (PubChem CID 122117109) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid
PubChem CID122117109
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid
SMILESCNC(=O)COc1cccc(CC(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C18H24N2O5/c1-12-6-14(18(23)24)10-20(9-12)17(22)8-13-4-3-5-15(7-13)25-11-16(21)19-2/h3-5,7,12,14H,6,8-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyRSUAWMSKJRBZJU-UHFFFAOYSA-N
XLogP0.92
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119572
1-[2-(3,4-dimethylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119479
1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
CID 136532081
1-[[3-(2,2-difluoroethoxy)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122618
1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117682
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451
methyl 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 112786430
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid (CID 122117109) is 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid is CNC(=O)COc1cccc(CC(=O)N2CC(C)CC(C(=O)O)C2)c1.
What is the InChIKey of 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is RSUAWMSKJRBZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12-6-14(18(23)24)10-20(9-12)17(22)8-13-4-3-5-15(7-13)25-11-16(21)19-2/h3-5,7,12,14H,6,8-11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).