1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid

C19H26N2O4 — CID 122117056

IUPAC1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C19H26N2O4/c1-14-10-17(19(24)25)12-21(11-14)18(23)13-20(15(2)22)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,24,25)
InChIKeyLBTWZEVBZVOQFX-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.65
Rot. Bonds6

About 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid

1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117056) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117056
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C19H26N2O4/c1-14-10-17(19(24)25)12-21(11-14)18(23)13-20(15(2)22)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,24,25)
InChIKeyLBTWZEVBZVOQFX-UHFFFAOYSA-N
XLogP1.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
(3R,4R)-1-[2-[acetyl(2-phenylethyl)amino]acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978871
1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
CID 111121802
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
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529295
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165787
2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154871241
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782
5-methyl-1-[4-(4-methylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 122118846

Frequently Asked Questions

What is the IUPAC name of 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid (CID 122117056) is 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid is CC(=O)N(CCc1ccccc1)CC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LBTWZEVBZVOQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-10-17(19(24)25)12-21(11-14)18(23)13-20(15(2)22)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,24,25).
What are the key properties of 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).