1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid

C15H16N2O4 — CID 16789710

IUPAC1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H16N2O4/c18-14(17-8-4-3-6-12(17)15(19)20)9-11-10-5-1-2-7-13(10)21-16-11/h1-2,5,7,12H,3-4,6,8-9H2,(H,19,20)
InChIKeyFHGOKWVIQZLIEJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 16789710) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID16789710
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H16N2O4/c18-14(17-8-4-3-6-12(17)15(19)20)9-11-10-5-1-2-7-13(10)21-16-11/h1-2,5,7,12H,3-4,6,8-9H2,(H,19,20)
InChIKeyFHGOKWVIQZLIEJ-UHFFFAOYSA-N
XLogP1.84
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421293
1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
CID 119469596
1-[2-(1,2-benzoxazol-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600515
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410913
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 97254701
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120580063
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102786626
2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949257
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 41105399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid (CID 16789710) is 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is FHGOKWVIQZLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(17-8-4-3-6-12(17)15(19)20)9-11-10-5-1-2-7-13(10)21-16-11/h1-2,5,7,12H,3-4,6,8-9H2,(H,19,20).
What are the key properties of 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 16789710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).