6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione

C14H18N4O2 — CID 80554033

IUPAC6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NCC3CCCNC3)cc2[nH]c1=O
InChIInChI=1S/C14H18N4O2/c19-13-14(20)18-12-6-10(3-4-11(12)17-13)16-8-9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7-8H2,(H,17,19)(H,18,20)
InChIKeyNUMIBIPVQXRMAP-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.63
Rot. Bonds3

About 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione

6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 80554033) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID80554033
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NCC3CCCNC3)cc2[nH]c1=O
InChIInChI=1S/C14H18N4O2/c19-13-14(20)18-12-6-10(3-4-11(12)17-13)16-8-9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7-8H2,(H,17,19)(H,18,20)
InChIKeyNUMIBIPVQXRMAP-UHFFFAOYSA-N
XLogP0.63
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-chloro-5-(piperidin-3-ylmethylamino)benzoic acid
CID 80554039
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43723406
4-chloro-3-nitro-N-(piperidin-3-ylmethyl)aniline
CID 80554162
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115239763
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
CID 80554258

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione (CID 80554033) is 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(NCC3CCCNC3)cc2[nH]c1=O.
What is the InChIKey of 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is NUMIBIPVQXRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13-14(20)18-12-6-10(3-4-11(12)17-13)16-8-9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione?
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 80554033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).