(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid

C12H21N3O3 — CID 83020304

IUPAC(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NN2CCCCC2)C1
InChIInChI=1S/C12H21N3O3/c16-11(17)10-5-4-6-14(9-10)12(18)13-15-7-2-1-3-8-15/h10H,1-9H2,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyUPELECNEGAIWJE-SNVBAGLBSA-N
MW255.32 g/mol
LogP0.89
Rot. Bonds2

About (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 83020304) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID83020304
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NN2CCCCC2)C1
InChIInChI=1S/C12H21N3O3/c16-11(17)10-5-4-6-14(9-10)12(18)13-15-7-2-1-3-8-15/h10H,1-9H2,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyUPELECNEGAIWJE-SNVBAGLBSA-N
XLogP0.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
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
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3S)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125882
(3R)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120067
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid (CID 83020304) is (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)NN2CCCCC2)C1.
What is the InChIKey of (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is UPELECNEGAIWJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-11(17)10-5-4-6-14(9-10)12(18)13-15-7-2-1-3-8-15/h10H,1-9H2,(H,13,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83020304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).