2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid

C19H21N3O5S — CID 171343345

IUPAC2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H21N3O5S/c23-18(24)13-21-19(25)17-7-6-16(12-20-17)28(26,27)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,25)(H,23,24)
InChIKeyZJQOXPNCXYRGDQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.46
Rot. Bonds6

About 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid

2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid (PubChem CID 171343345) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid
PubChem CID171343345
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H21N3O5S/c23-18(24)13-21-19(25)17-7-6-16(12-20-17)28(26,27)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,25)(H,23,24)
InChIKeyZJQOXPNCXYRGDQ-UHFFFAOYSA-N
XLogP1.46
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid (CID 171343345) is 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cn1.
What is the InChIKey of 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid?
The InChIKey is ZJQOXPNCXYRGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-18(24)13-21-19(25)17-7-6-16(12-20-17)28(26,27)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,25)(H,23,24).
What are the key properties of 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid?
2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid has a molecular weight of 403.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-phenylpiperidin-1-yl)sulfonylpyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 171343345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).