1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid

C13H21N3O4 — CID 63286603

IUPAC1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCN(CCC#N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H21N3O4/c1-20-9-8-15(7-3-5-14)13(19)16-6-2-4-11(10-16)12(17)18/h11H,2-4,6-10H2,1H3,(H,17,18)
InChIKeyUSXVQJWXNDBLEQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.77
Rot. Bonds6

About 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid

1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63286603) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63286603
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCN(CCC#N)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H21N3O4/c1-20-9-8-15(7-3-5-14)13(19)16-6-2-4-11(10-16)12(17)18/h11H,2-4,6-10H2,1H3,(H,17,18)
InChIKeyUSXVQJWXNDBLEQ-UHFFFAOYSA-N
XLogP0.77
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55171533
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563520
(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120227
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115535207
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
N-(2-cyanoethyl)-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 79156132
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid (CID 63286603) is 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid is COCCN(CCC#N)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is USXVQJWXNDBLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-20-9-8-15(7-3-5-14)13(19)16-6-2-4-11(10-16)12(17)18/h11H,2-4,6-10H2,1H3,(H,17,18).
What are the key properties of 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid?
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63286603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).