1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid

C14H26N2O4 — CID 79282003

IUPAC1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-4-14(13(18)19)5-8-16(9-6-14)12(17)11-15-7-10-20-2/h15H,3-11H2,1-2H3,(H,18,19)
InChIKeySHAGWKBOPKARMG-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.72
Rot. Bonds8

About 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid

1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 79282003) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID79282003
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-4-14(13(18)19)5-8-16(9-6-14)12(17)11-15-7-10-20-2/h15H,3-11H2,1-2H3,(H,18,19)
InChIKeySHAGWKBOPKARMG-UHFFFAOYSA-N
XLogP0.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073
1-(4-methoxybutan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 64605109
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid (CID 79282003) is 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CNCCOC)CC1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is SHAGWKBOPKARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-14(13(18)19)5-8-16(9-6-14)12(17)11-15-7-10-20-2/h15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid?
1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 79282003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).