4-carbonochloridoyloxypiperidine-1-carboxylic acid

C7H10ClNO4 — CID 146453029

IUPAC4-carbonochloridoyloxypiperidine-1-carboxylic acid
SMILESO=C(Cl)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C7H10ClNO4/c8-6(10)13-5-1-3-9(4-2-5)7(11)12/h5H,1-4H2,(H,11,12)
InChIKeyZERKJYCOOVXPFT-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.50
Rot. Bonds1

About 4-carbonochloridoyloxypiperidine-1-carboxylic acid

4-carbonochloridoyloxypiperidine-1-carboxylic acid (PubChem CID 146453029) has the molecular formula C7H10ClNO4 and a molecular weight of 207.61 g/mol. Its IUPAC name is 4-carbonochloridoyloxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-carbonochloridoyloxypiperidine-1-carboxylic acid
PubChem CID146453029
Molecular FormulaC7H10ClNO4
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name4-carbonochloridoyloxypiperidine-1-carboxylic acid
SMILESO=C(Cl)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C7H10ClNO4/c8-6(10)13-5-1-3-9(4-2-5)7(11)12/h5H,1-4H2,(H,11,12)
InChIKeyZERKJYCOOVXPFT-UHFFFAOYSA-N
XLogP1.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloroethoxycarbonyloxy)piperidine-1-carboxylic acid
CID 174211543
4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 118662288
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
cyclohexyl carbonochloridate;methane
CID 157322505
4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493633
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
CID 135304476
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
piperidine-1,4-dicarboxylic acid
CID 18542445
4-(3-oxopropoxy)piperidine-1-carboxylic acid
CID 176652743
4-butoxypiperidine-1-carboxylic acid
CID 69380286
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936

Frequently Asked Questions

What is the IUPAC name of 4-carbonochloridoyloxypiperidine-1-carboxylic acid?
The IUPAC name of 4-carbonochloridoyloxypiperidine-1-carboxylic acid (CID 146453029) is 4-carbonochloridoyloxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-carbonochloridoyloxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-carbonochloridoyloxypiperidine-1-carboxylic acid is O=C(Cl)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-carbonochloridoyloxypiperidine-1-carboxylic acid?
The InChIKey is ZERKJYCOOVXPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO4/c8-6(10)13-5-1-3-9(4-2-5)7(11)12/h5H,1-4H2,(H,11,12).
What are the key properties of 4-carbonochloridoyloxypiperidine-1-carboxylic acid?
4-carbonochloridoyloxypiperidine-1-carboxylic acid has a molecular weight of 207.61 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbonochloridoyloxypiperidine-1-carboxylic acid is sourced from PubChem (CID 146453029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).