2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid

C20H28N2O5 — CID 154871241

IUPAC2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)C1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1
InChIInChI=1S/C20H28N2O5/c1-15(23)22(11-8-16-6-4-3-5-7-16)14-18(24)21-12-9-17(10-13-21)19(27-2)20(25)26/h3-7,17,19H,8-14H2,1-2H3,(H,25,26)
InChIKeyIBZYQVTUQIDZIW-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.42
Rot. Bonds8

About 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid

2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid (PubChem CID 154871241) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid
PubChem CID154871241
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)C1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1
InChIInChI=1S/C20H28N2O5/c1-15(23)22(11-8-16-6-4-3-5-7-16)14-18(24)21-12-9-17(10-13-21)19(27-2)20(25)26/h3-7,17,19H,8-14H2,1-2H3,(H,25,26)
InChIKeyIBZYQVTUQIDZIW-UHFFFAOYSA-N
XLogP1.42
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]-N-(2-phenylethyl)acetamide
CID 75393059
(3R,4R)-1-[2-[acetyl(2-phenylethyl)amino]acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978871
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117056
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165787
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164653
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 120521212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid?
The IUPAC name of 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid (CID 154871241) is 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid?
The canonical SMILES for 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid is COC(C(=O)O)C1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1.
What is the InChIKey of 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid?
The InChIKey is IBZYQVTUQIDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-15(23)22(11-8-16-6-4-3-5-7-16)14-18(24)21-12-9-17(10-13-21)19(27-2)20(25)26/h3-7,17,19H,8-14H2,1-2H3,(H,25,26).
What are the key properties of 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid?
2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid has a molecular weight of 376.45 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid is sourced from PubChem (CID 154871241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).