[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate

C16H17N3O5 — CID 23887831

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)c2cccc3ocnc23)CC1
InChIInChI=1S/C16H17N3O5/c17-15(21)10-4-6-19(7-5-10)13(20)8-23-16(22)11-2-1-3-12-14(11)18-9-24-12/h1-3,9-10H,4-8H2,(H2,17,21)
InChIKeyUJICFOGRYZVHSH-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.71
Rot. Bonds4

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate (PubChem CID 23887831) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
PubChem CID23887831
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
SMILESNC(=O)C1CCN(C(=O)COC(=O)c2cccc3ocnc23)CC1
InChIInChI=1S/C16H17N3O5/c17-15(21)10-4-6-19(7-5-10)13(20)8-23-16(22)11-2-1-3-12-14(11)18-9-24-12/h1-3,9-10H,4-8H2,(H2,17,21)
InChIKeyUJICFOGRYZVHSH-UHFFFAOYSA-N
XLogP0.71
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate
CID 23831647
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23859997
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861804
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477620
(3-oxo-3-phenothiazin-10-ylpropyl) 1,3-benzoxazole-4-carboxylate
CID 23773584
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate (CID 23887831) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate is NC(=O)C1CCN(C(=O)COC(=O)c2cccc3ocnc23)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate?
The InChIKey is UJICFOGRYZVHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c17-15(21)10-4-6-19(7-5-10)13(20)8-23-16(22)11-2-1-3-12-14(11)18-9-24-12/h1-3,9-10H,4-8H2,(H2,17,21).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate has a molecular weight of 331.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 23887831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).