1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

C19H19N3O4 — CID 56915489

IUPAC1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C19H19N3O4/c1-13-6-7-14(12-20-13)26-19(17(23)24)8-10-22(11-9-19)18-21-15-4-2-3-5-16(15)25-18/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyIYFRTNJUKPBAFI-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.03
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 56915489) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID56915489
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C19H19N3O4/c1-13-6-7-14(12-20-13)26-19(17(23)24)8-10-22(11-9-19)18-21-15-4-2-3-5-16(15)25-18/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyIYFRTNJUKPBAFI-UHFFFAOYSA-N
XLogP3.03
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56883763
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124689347
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
(4-phenylmethoxyphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16591321
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 56915489) is 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(c3nc4ccccc4o3)CC2)cn1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is IYFRTNJUKPBAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-6-7-14(12-20-13)26-19(17(23)24)8-10-22(11-9-19)18-21-15-4-2-3-5-16(15)25-18/h2-7,12H,8-11H2,1H3,(H,23,24).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 56915489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).