2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide

C19H27N5O — CID 71905747

IUPAC2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)21-19(25)13-23(3)15-8-10-24(11-9-15)18-12-20-16-6-4-5-7-17(16)22-18/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,25)
InChIKeyHDCCYIOZDKHOSU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.06
Rot. Bonds5

About 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide

2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 71905747) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID71905747
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)21-19(25)13-23(3)15-8-10-24(11-9-15)18-12-20-16-6-4-5-7-17(16)22-18/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,25)
InChIKeyHDCCYIOZDKHOSU-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide 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-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide (CID 71905747) is 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is HDCCYIOZDKHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)21-19(25)13-23(3)15-8-10-24(11-9-15)18-12-20-16-6-4-5-7-17(16)22-18/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,21,25).
What are the key properties of 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 341.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-quinoxalin-2-ylpiperidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 71905747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).