1-acetamidopiperidine-4-carboxylic acid

C8H14N2O3 — CID 140563912

IUPAC1-acetamidopiperidine-4-carboxylic acid
SMILESCC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-10-4-2-7(3-5-10)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyRGVXYHIIWZCOMA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.17
Rot. Bonds2

About 1-acetamidopiperidine-4-carboxylic acid

1-acetamidopiperidine-4-carboxylic acid (PubChem CID 140563912) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-acetamidopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetamidopiperidine-4-carboxylic acid
PubChem CID140563912
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-acetamidopiperidine-4-carboxylic acid
SMILESCC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-10-4-2-7(3-5-10)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyRGVXYHIIWZCOMA-UHFFFAOYSA-N
XLogP-0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2,2-Trifluoroacetyl)amino]piperidine-4-carboxylic acid
CID 160138067
1-(Ethoxycarbonylamino)piperidine-4-carboxylic acid
CID 17852059
1-(Methylamino)piperidine-4-carboxylic acid
CID 18794940
1-Aminopiperidine-4-carboxylic acid
CID 22000006
1-(Ethylamino)piperidine-4-carboxylic acid
CID 22448027
4-Oxo-4-(piperidin-1-ylamino)butanoic acid
CID 66637471
1-[(1,1-Dimethylethoxycarbonyl)amino]-piperidine-4-carboxylic acid
CID 66742054
Tert-butyl 1-acetamidopiperidine-4-carboxylate
CID 67050466
1-(Carbamoylamino)piperidine-4-carboxylic acid
CID 67177905
4-(2,2-Dimethylhydrazinyl)-4-oxobutanoic acid;1,1-dimethylpiperidin-1-ium
CID 70363871
1-(Propan-2-ylamino)piperidine-4-carboxylic acid
CID 90922436
1-(Butoxycarbonylamino)piperidine-4-carboxylic acid
CID 91324869

Frequently Asked Questions

What is the IUPAC name of 1-acetamidopiperidine-4-carboxylic acid?
The IUPAC name of 1-acetamidopiperidine-4-carboxylic acid (CID 140563912) is 1-acetamidopiperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetamidopiperidine-4-carboxylic acid?
The canonical SMILES for 1-acetamidopiperidine-4-carboxylic acid is CC(=O)NN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-acetamidopiperidine-4-carboxylic acid?
The InChIKey is RGVXYHIIWZCOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-10-4-2-7(3-5-10)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 1-acetamidopiperidine-4-carboxylic acid?
1-acetamidopiperidine-4-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamidopiperidine-4-carboxylic acid is sourced from PubChem (CID 140563912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).