1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid

C19H24N2O6 — CID 119236211

IUPAC1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(=O)c1cccc(OCC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C19H24N2O6/c1-13(22)15-4-3-5-16(10-15)27-12-18(24)20(2)11-17(23)21-8-6-14(7-9-21)19(25)26/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,25,26)
InChIKeyULSAUFCVLYESRA-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.05
Rot. Bonds7

About 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236211) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236211
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(=O)c1cccc(OCC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C19H24N2O6/c1-13(22)15-4-3-5-16(10-15)27-12-18(24)20(2)11-17(23)21-8-6-14(7-9-21)19(25)26/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,25,26)
InChIKeyULSAUFCVLYESRA-UHFFFAOYSA-N
XLogP1.05
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-acetylphenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166436
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832
2-(3-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119486393
1-[2-[methyl-[4-(2-methylphenoxy)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236349
2-(3-acetylphenoxy)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 55328875

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119236211) is 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid is CC(=O)c1cccc(OCC(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ULSAUFCVLYESRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-13(22)15-4-3-5-16(10-15)27-12-18(24)20(2)11-17(23)21-8-6-14(7-9-21)19(25)26/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,25,26).
What are the key properties of 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).