1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid

C14H18N2O6S — CID 2769963

IUPAC1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O6S/c1-22-14(19)15-10-5-7-11(8-6-10)23(20,21)16-9-3-2-4-12(16)13(17)18/h5-8,12H,2-4,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQICIVSKLAVRQMB-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid

1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid (PubChem CID 2769963) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid
PubChem CID2769963
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O6S/c1-22-14(19)15-10-5-7-11(8-6-10)23(20,21)16-9-3-2-4-12(16)13(17)18/h5-8,12H,2-4,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQICIVSKLAVRQMB-UHFFFAOYSA-N
XLogP1.49
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid (CID 2769963) is 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid is COC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid?
The InChIKey is QICIVSKLAVRQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-22-14(19)15-10-5-7-11(8-6-10)23(20,21)16-9-3-2-4-12(16)13(17)18/h5-8,12H,2-4,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid?
1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxycarbonylamino)phenyl]sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 2769963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).