[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate

C19H21N3O4 — CID 46696715

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
SMILESNC(=O)C1CCN(C(=O)COC(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C19H21N3O4/c20-19(25)14-6-9-22(10-7-14)16(23)12-26-17(24)11-15-4-1-3-13-5-2-8-21-18(13)15/h1-5,8,14H,6-7,9-12H2,(H2,20,25)
InChIKeyDXXXFRXJDKLJAY-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.04
Rot. Bonds5

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate (PubChem CID 46696715) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
PubChem CID46696715
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
SMILESNC(=O)C1CCN(C(=O)COC(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C19H21N3O4/c20-19(25)14-6-9-22(10-7-14)16(23)12-26-17(24)11-15-4-1-3-13-5-2-8-21-18(13)15/h1-5,8,14H,6-7,9-12H2,(H2,20,25)
InChIKeyDXXXFRXJDKLJAY-UHFFFAOYSA-N
XLogP1.04
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate (CID 46696715) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate is NC(=O)C1CCN(C(=O)COC(=O)Cc2cccc3cccnc23)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
The InChIKey is DXXXFRXJDKLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c20-19(25)14-6-9-22(10-7-14)16(23)12-26-17(24)11-15-4-1-3-13-5-2-8-21-18(13)15/h1-5,8,14H,6-7,9-12H2,(H2,20,25).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate has a molecular weight of 355.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 46696715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).