3-carbonochloridoylpiperidine-1-carboxylic acid

C7H10ClNO3 — CID 87707523

IUPAC3-carbonochloridoylpiperidine-1-carboxylic acid
SMILESO=C(Cl)C1CCCN(C(=O)O)C1
InChIInChI=1S/C7H10ClNO3/c8-6(10)5-2-1-3-9(4-5)7(11)12/h5H,1-4H2,(H,11,12)
InChIKeyPHQGLSUKWBVDRC-UHFFFAOYSA-N
MW191.61 g/mol
LogP1.14
Rot. Bonds1

About 3-carbonochloridoylpiperidine-1-carboxylic acid

3-carbonochloridoylpiperidine-1-carboxylic acid (PubChem CID 87707523) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is 3-carbonochloridoylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-carbonochloridoylpiperidine-1-carboxylic acid
PubChem CID87707523
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name3-carbonochloridoylpiperidine-1-carboxylic acid
SMILESO=C(Cl)C1CCCN(C(=O)O)C1
InChIInChI=1S/C7H10ClNO3/c8-6(10)5-2-1-3-9(4-5)7(11)12/h5H,1-4H2,(H,11,12)
InChIKeyPHQGLSUKWBVDRC-UHFFFAOYSA-N
XLogP1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
3-(2-carboxyacetyl)piperidine-1-carboxylic acid
CID 53443980
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
(3R)-3-(cyclohexylamino)piperidine-1-carboxylic acid
CID 68661844
3-(2,2-dicyano-1-methoxyethenyl)piperidine-1-carboxylic acid
CID 87886377
3-[(E)-N'-acetyloxycarbamimidoyl]piperidine-1-carboxylic acid
CID 87683347
1-acetylpiperidine-3-carboxylic acid
CID 14043896

Frequently Asked Questions

What is the IUPAC name of 3-carbonochloridoylpiperidine-1-carboxylic acid?
The IUPAC name of 3-carbonochloridoylpiperidine-1-carboxylic acid (CID 87707523) is 3-carbonochloridoylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-carbonochloridoylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-carbonochloridoylpiperidine-1-carboxylic acid is O=C(Cl)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-carbonochloridoylpiperidine-1-carboxylic acid?
The InChIKey is PHQGLSUKWBVDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3/c8-6(10)5-2-1-3-9(4-5)7(11)12/h5H,1-4H2,(H,11,12).
What are the key properties of 3-carbonochloridoylpiperidine-1-carboxylic acid?
3-carbonochloridoylpiperidine-1-carboxylic acid has a molecular weight of 191.61 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbonochloridoylpiperidine-1-carboxylic acid is sourced from PubChem (CID 87707523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).