2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid

C14H19N3O4 — CID 61402704

IUPAC2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)NC1CCNCC1)c1ccc(O)cc1
InChIInChI=1S/C14H19N3O4/c18-12-3-1-11(2-4-12)17(9-13(19)20)14(21)16-10-5-7-15-8-6-10/h1-4,10,15,18H,5-9H2,(H,16,21)(H,19,20)
InChIKeyCFVWNWPKTYWEGO-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.74
Rot. Bonds4

About 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid

2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid (PubChem CID 61402704) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
PubChem CID61402704
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)NC1CCNCC1)c1ccc(O)cc1
InChIInChI=1S/C14H19N3O4/c18-12-3-1-11(2-4-12)17(9-13(19)20)14(21)16-10-5-7-15-8-6-10/h1-4,10,15,18H,5-9H2,(H,16,21)(H,19,20)
InChIKeyCFVWNWPKTYWEGO-UHFFFAOYSA-N
XLogP0.74
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid (CID 61402704) is 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid is O=C(O)CN(C(=O)NC1CCNCC1)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid?
The InChIKey is CFVWNWPKTYWEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12-3-1-11(2-4-12)17(9-13(19)20)14(21)16-10-5-7-15-8-6-10/h1-4,10,15,18H,5-9H2,(H,16,21)(H,19,20).
What are the key properties of 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid?
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 61402704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).