1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C16H19N3O5 — CID 122001108

IUPAC1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C16H19N3O5/c20-14(21)11-5-8-18(9-6-11)15(22)17-7-10-19-12-3-1-2-4-13(12)24-16(19)23/h1-4,11H,5-10H2,(H,17,22)(H,20,21)
InChIKeyQQENBNNYJQLNFV-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.10
Rot. Bonds4

About 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122001108) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122001108
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C16H19N3O5/c20-14(21)11-5-8-18(9-6-11)15(22)17-7-10-19-12-3-1-2-4-13(12)24-16(19)23/h1-4,11H,5-10H2,(H,17,22)(H,20,21)
InChIKeyQQENBNNYJQLNFV-UHFFFAOYSA-N
XLogP1.10
TPSA104.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 108874824
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidine-1-carboxamide
CID 146125380
1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 110012412
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide
CID 167852166
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167448
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111426876
3-[cyclopropyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]propanoic acid
CID 60838868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 122001108) is 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCn2c(=O)oc3ccccc32)CC1.
What is the InChIKey of 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is QQENBNNYJQLNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-14(21)11-5-8-18(9-6-11)15(22)17-7-10-19-12-3-1-2-4-13(12)24-16(19)23/h1-4,11H,5-10H2,(H,17,22)(H,20,21).
What are the key properties of 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122001108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).