1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide

C18H22N4O2 — CID 72910340

IUPAC1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(C)Cc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H22N4O2/c1-13(23)22-9-5-6-14(11-22)18(24)21(2)12-15-10-19-16-7-3-4-8-17(16)20-15/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3
InChIKeyPGOUAHUVMWGTHF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.85
Rot. Bonds3

About 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide

1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 72910340) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID72910340
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(C)Cc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H22N4O2/c1-13(23)22-9-5-6-14(11-22)18(24)21(2)12-15-10-19-16-7-3-4-8-17(16)20-15/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3
InChIKeyPGOUAHUVMWGTHF-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide (CID 72910340) is 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)N(C)Cc2cnc3ccccc3n2)C1.
What is the InChIKey of 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PGOUAHUVMWGTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(23)22-9-5-6-14(11-22)18(24)21(2)12-15-10-19-16-7-3-4-8-17(16)20-15/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3.
What are the key properties of 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide?
1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72910340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).