(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid

C13H23N3O4 — CID 81120691

IUPAC(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c17-12(18)11-2-1-4-16(10-11)13(19)14-3-5-15-6-8-20-9-7-15/h11H,1-10H2,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeySWDGLXOPPJINQU-LLVKDONJSA-N
MW285.34 g/mol
LogP-0.18
Rot. Bonds4

About (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81120691) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81120691
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c17-12(18)11-2-1-4-16(10-11)13(19)14-3-5-15-6-8-20-9-7-15/h11H,1-10H2,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeySWDGLXOPPJINQU-LLVKDONJSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114131749
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid (CID 81120691) is (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is SWDGLXOPPJINQU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-12(18)11-2-1-4-16(10-11)13(19)14-3-5-15-6-8-20-9-7-15/h11H,1-10H2,(H,14,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).