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

C13H19N3O3 — CID 81120227

IUPAC(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESN#CCCN(C(=O)N1CCC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C13H19N3O3/c14-6-2-8-16(11-4-5-11)13(19)15-7-1-3-10(9-15)12(17)18/h10-11H,1-5,7-9H2,(H,17,18)/t10-/m1/s1
InChIKeyKTFKCLCUPKGUQH-SNVBAGLBSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds4

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

(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120227) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120227
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESN#CCCN(C(=O)N1CCC[C@@H](C(=O)O)C1)C1CC1
InChIInChI=1S/C13H19N3O3/c14-6-2-8-16(11-4-5-11)13(19)15-7-1-3-10(9-15)12(17)18/h10-11H,1-5,7-9H2,(H,17,18)/t10-/m1/s1
InChIKeyKTFKCLCUPKGUQH-SNVBAGLBSA-N
XLogP1.28
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
CID 102865230
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136275
(3S)-1-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81118602
1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147117
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55171533
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid (CID 81120227) is (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid is N#CCCN(C(=O)N1CCC[C@@H](C(=O)O)C1)C1CC1.
What is the InChIKey of (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KTFKCLCUPKGUQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-6-2-8-16(11-4-5-11)13(19)15-7-1-3-10(9-15)12(17)18/h10-11H,1-5,7-9H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).