1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid

C15H18N2O3 — CID 114427658

IUPAC1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2nc3ccccc3o2)C(C(=O)O)C1
InChIInChI=1S/C15H18N2O3/c1-2-10-7-8-17(12(9-10)14(18)19)15-16-11-5-3-4-6-13(11)20-15/h3-6,10,12H,2,7-9H2,1H3,(H,18,19)
InChIKeyDNNCVVDHEYRBPS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.91
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid

1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427658) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427658
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2nc3ccccc3o2)C(C(=O)O)C1
InChIInChI=1S/C15H18N2O3/c1-2-10-7-8-17(12(9-10)14(18)19)15-16-11-5-3-4-6-13(11)20-15/h3-6,10,12H,2,7-9H2,1H3,(H,18,19)
InChIKeyDNNCVVDHEYRBPS-UHFFFAOYSA-N
XLogP2.91
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
1-(1,3-benzoxazol-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 54895616
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
(2R)-1-(1,3-benzoxazol-2-yl)piperazine-2-carboxylic acid
CID 97055425
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
CID 114427524
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
2-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 171999613
(2S)-1-(1,3-benzoxazol-2-yl)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 99903587
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid (CID 114427658) is 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(c2nc3ccccc3o2)C(C(=O)O)C1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is DNNCVVDHEYRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-10-7-8-17(12(9-10)14(18)19)15-16-11-5-3-4-6-13(11)20-15/h3-6,10,12H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid?
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).