1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one

C15H21N3O — CID 117030772

IUPAC1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(CC2CCNCC2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-17-13-4-2-3-5-14(13)18(11-15(17)19)10-12-6-8-16-9-7-12/h2-5,12,16H,6-11H2,1H3
InChIKeyDNFVOQWKZCOARY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one

1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one (PubChem CID 117030772) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
PubChem CID117030772
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(CC2CCNCC2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-17-13-4-2-3-5-14(13)18(11-15(17)19)10-12-6-8-16-9-7-12/h2-5,12,16H,6-11H2,1H3
InChIKeyDNFVOQWKZCOARY-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one (CID 117030772) is 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one is CN1C(=O)CN(CC2CCNCC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
The InChIKey is DNFVOQWKZCOARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-13-4-2-3-5-14(13)18(11-15(17)19)10-12-6-8-16-9-7-12/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one?
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117030772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).