(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid

C18H23N5O3 — CID 67136648

IUPAC(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
SMILESNC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O
InChIInChI=1S/C18H23N5O3/c19-16(24)12-23(18(25)26)10-7-13-5-8-22(9-6-13)17-11-20-14-3-1-2-4-15(14)21-17/h1-4,11,13H,5-10,12H2,(H2,19,24)(H,25,26)
InChIKeyLTTFSZRBQUJCDY-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.70
Rot. Bonds6

About (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid

(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid (PubChem CID 67136648) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
PubChem CID67136648
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
SMILESNC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O
InChIInChI=1S/C18H23N5O3/c19-16(24)12-23(18(25)26)10-7-13-5-8-22(9-6-13)17-11-20-14-3-1-2-4-15(14)21-17/h1-4,11,13H,5-10,12H2,(H2,19,24)(H,25,26)
InChIKeyLTTFSZRBQUJCDY-UHFFFAOYSA-N
XLogP1.70
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid 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-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
The IUPAC name of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid (CID 67136648) is (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid.
What is the SMILES notation for (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
The canonical SMILES for (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid is NC(=O)CN(CCC1CCN(c2cnc3ccccc3n2)CC1)C(=O)O.
What is the InChIKey of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
The InChIKey is LTTFSZRBQUJCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-16(24)12-23(18(25)26)10-7-13-5-8-22(9-6-13)17-11-20-14-3-1-2-4-15(14)21-17/h1-4,11,13H,5-10,12H2,(H2,19,24)(H,25,26).
What are the key properties of (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid?
(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid has a molecular weight of 357.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid is sourced from PubChem (CID 67136648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).