[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride

C15H20Cl2N4O — CID 119559840

IUPAC[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cnc3ccccc3n2)CC1.Cl.Cl
InChIInChI=1S/C15H18N4O.2ClH/c1-16-11-6-8-19(9-7-11)15(20)14-10-17-12-4-2-3-5-13(12)18-14;;/h2-5,10-11,16H,6-9H2,1H3;2*1H
InChIKeyCPRXEKANRCJFEZ-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.30
Rot. Bonds2

About [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride

[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride (PubChem CID 119559840) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
PubChem CID119559840
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cnc3ccccc3n2)CC1.Cl.Cl
InChIInChI=1S/C15H18N4O.2ClH/c1-16-11-6-8-19(9-7-11)15(20)14-10-17-12-4-2-3-5-13(12)18-14;;/h2-5,10-11,16H,6-9H2,1H3;2*1H
InChIKeyCPRXEKANRCJFEZ-UHFFFAOYSA-N
XLogP2.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride (CID 119559840) is [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride is CNC1CCN(C(=O)c2cnc3ccccc3n2)CC1.Cl.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride?
The InChIKey is CPRXEKANRCJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c1-16-11-6-8-19(9-7-11)15(20)14-10-17-12-4-2-3-5-13(12)18-14;;/h2-5,10-11,16H,6-9H2,1H3;2*1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride?
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119559840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).