2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid

C14H19N3O4 — CID 61223257

IUPAC2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
SMILESCN1CCCC(NC(=O)Nc2ccc(C(=O)O)c(O)c2)C1
InChIInChI=1S/C14H19N3O4/c1-17-6-2-3-10(8-17)16-14(21)15-9-4-5-11(13(19)20)12(18)7-9/h4-5,7,10,18H,2-3,6,8H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyXDJNMEFMBKCTCH-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.31
Rot. Bonds3

About 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid

2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid (PubChem CID 61223257) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
PubChem CID61223257
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
SMILESCN1CCCC(NC(=O)Nc2ccc(C(=O)O)c(O)c2)C1
InChIInChI=1S/C14H19N3O4/c1-17-6-2-3-10(8-17)16-14(21)15-9-4-5-11(13(19)20)12(18)7-9/h4-5,7,10,18H,2-3,6,8H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyXDJNMEFMBKCTCH-UHFFFAOYSA-N
XLogP1.31
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid (CID 61223257) is 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid is CN1CCCC(NC(=O)Nc2ccc(C(=O)O)c(O)c2)C1.
What is the InChIKey of 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
The InChIKey is XDJNMEFMBKCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17-6-2-3-10(8-17)16-14(21)15-9-4-5-11(13(19)20)12(18)7-9/h4-5,7,10,18H,2-3,6,8H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid?
2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61223257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).