1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one

C14H19N3O — CID 117030559

IUPAC1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1CC1CCCCN1
InChIInChI=1S/C14H19N3O/c18-14-9-16-12-6-1-2-7-13(12)17(14)10-11-5-3-4-8-15-11/h1-2,6-7,11,15-16H,3-5,8-10H2
InChIKeyHNBXRAHWSZDFIR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds2

About 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one

1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 117030559) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
PubChem CID117030559
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1CC1CCCCN1
InChIInChI=1S/C14H19N3O/c18-14-9-16-12-6-1-2-7-13(12)17(14)10-11-5-3-4-8-15-11/h1-2,6-7,11,15-16H,3-5,8-10H2
InChIKeyHNBXRAHWSZDFIR-UHFFFAOYSA-N
XLogP1.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
6-amino-4-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 115209200
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030909
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]-1,4-benzoxazin-3-one
CID 102819727
1-[2-(oxolan-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65166169
2-methyl-1-(piperidin-2-ylmethyl)-2,3-dihydroindole
CID 24692606
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
11-[[(2S)-pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5,5-dioxide
CID 22841646
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one (CID 117030559) is 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1CC1CCCCN1.
What is the InChIKey of 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is HNBXRAHWSZDFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-9-16-12-6-1-2-7-13(12)17(14)10-11-5-3-4-8-15-11/h1-2,6-7,11,15-16H,3-5,8-10H2.
What are the key properties of 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one?
1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).