4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid

C14H19FN2O5S — CID 122424268

IUPAC4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C14H19FN2O5S/c1-14(15,10-5-7-17(8-6-10)13(18)19)23(20,21)11-3-4-12(22-2)16-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
InChIKeyIGEVROCXZJYULF-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.94
Rot. Bonds4

About 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid

4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid (PubChem CID 122424268) has the molecular formula C14H19FN2O5S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid
PubChem CID122424268
Molecular FormulaC14H19FN2O5S
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C14H19FN2O5S/c1-14(15,10-5-7-17(8-6-10)13(18)19)23(20,21)11-3-4-12(22-2)16-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
InChIKeyIGEVROCXZJYULF-UHFFFAOYSA-N
XLogP1.94
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid (CID 122424268) is 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid is COc1ccc(S(=O)(=O)C(C)(F)C2CCN(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid?
The InChIKey is IGEVROCXZJYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O5S/c1-14(15,10-5-7-17(8-6-10)13(18)19)23(20,21)11-3-4-12(22-2)16-9-11/h3-4,9-10H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid?
4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 122424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).