5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid

C14H18N2O5 — CID 61405887

IUPAC5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCN(C(=O)Nc2ccc(O)cc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O5/c1-21-10-4-6-16(7-5-10)14(20)15-12-3-2-9(17)8-11(12)13(18)19/h2-3,8,10,17H,4-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyNLOJYBFSBCJEDO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.73
Rot. Bonds3

About 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid

5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61405887) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61405887
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCN(C(=O)Nc2ccc(O)cc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O5/c1-21-10-4-6-16(7-5-10)14(20)15-12-3-2-9(17)8-11(12)13(18)19/h2-3,8,10,17H,4-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyNLOJYBFSBCJEDO-UHFFFAOYSA-N
XLogP1.73
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146
2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
CID 61406321
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid (CID 61405887) is 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid is COC1CCN(C(=O)Nc2ccc(O)cc2C(=O)O)CC1.
What is the InChIKey of 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is NLOJYBFSBCJEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-10-4-6-16(7-5-10)14(20)15-12-3-2-9(17)8-11(12)13(18)19/h2-3,8,10,17H,4-7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61405887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).