3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid

C15H20N2O4 — CID 63980183

IUPAC3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
SMILESCOCC1CCN(C(=O)Nc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-21-10-11-5-7-17(8-6-11)15(20)16-13-4-2-3-12(9-13)14(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeySQMUHXKKNZXSOY-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.28
Rot. Bonds4

About 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid

3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid (PubChem CID 63980183) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
PubChem CID63980183
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
SMILESCOCC1CCN(C(=O)Nc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-21-10-11-5-7-17(8-6-11)15(20)16-13-4-2-3-12(9-13)14(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeySQMUHXKKNZXSOY-UHFFFAOYSA-N
XLogP2.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
3-fluoro-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597823
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
ethyl 3-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 6625829
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
CID 20930658

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid (CID 63980183) is 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid is COCC1CCN(C(=O)Nc2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid?
The InChIKey is SQMUHXKKNZXSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-10-11-5-7-17(8-6-11)15(20)16-13-4-2-3-12(9-13)14(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid?
3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid is sourced from PubChem (CID 63980183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).