(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid

C13H21N3O4 — CID 66262849

IUPAC(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)N2CCCC[C@H]2C(=O)O)C1
InChIInChI=1S/C13H21N3O4/c14-13(20)15-6-3-4-9(8-15)11(17)16-7-2-1-5-10(16)12(18)19/h9-10H,1-8H2,(H2,14,20)(H,18,19)/t9?,10-/m0/s1
InChIKeyXVNKHZLLCONWKI-AXDSSHIGSA-N
MW283.33 g/mol
LogP0.24
Rot. Bonds2

About (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66262849) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID66262849
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESNC(=O)N1CCCC(C(=O)N2CCCC[C@H]2C(=O)O)C1
InChIInChI=1S/C13H21N3O4/c14-13(20)15-6-3-4-9(8-15)11(17)16-7-2-1-5-10(16)12(18)19/h9-10H,1-8H2,(H2,14,20)(H,18,19)/t9?,10-/m0/s1
InChIKeyXVNKHZLLCONWKI-AXDSSHIGSA-N
XLogP0.24
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 102557880
3-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359555
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355521
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010810
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (CID 66262849) is (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is NC(=O)N1CCCC(C(=O)N2CCCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is XVNKHZLLCONWKI-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H21N3O4/c14-13(20)15-6-3-4-9(8-15)11(17)16-7-2-1-5-10(16)12(18)19/h9-10H,1-8H2,(H2,14,20)(H,18,19)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66262849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).