1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid

C14H23N3O4 — CID 63285337

IUPAC1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCOCCN(CCC#N)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c1-21-10-9-16(6-2-5-15)11-13(18)17-7-3-12(4-8-17)14(19)20/h12H,2-4,6-11H2,1H3,(H,19,20)
InChIKeyQUGKRQWDDNRRHO-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.17
Rot. Bonds8

About 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 63285337) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID63285337
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCOCCN(CCC#N)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c1-21-10-9-16(6-2-5-15)11-13(18)17-7-3-12(4-8-17)14(19)20/h12H,2-4,6-11H2,1H3,(H,19,20)
InChIKeyQUGKRQWDDNRRHO-UHFFFAOYSA-N
XLogP0.17
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55171533
1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 39290169
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
3-[[2-(azepan-1-yl)-2-oxoethyl]-(2,2-dimethylpropyl)amino]propanenitrile
CID 56787441
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
CID 54940259

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid (CID 63285337) is 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid is COCCN(CCC#N)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QUGKRQWDDNRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-21-10-9-16(6-2-5-15)11-13(18)17-7-3-12(4-8-17)14(19)20/h12H,2-4,6-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63285337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).