3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one

C14H18N4O — CID 104975782

IUPAC3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
SMILESC[C@@H]1CN(Cc2nc3ccccc3[nH]c2=O)CCN1
InChIInChI=1S/C14H18N4O/c1-10-8-18(7-6-15-10)9-13-14(19)17-12-5-3-2-4-11(12)16-13/h2-5,10,15H,6-9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyWSYSKXZHCDIXPO-SNVBAGLBSA-N
MW258.32 g/mol
LogP0.72
Rot. Bonds2

About 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one

3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one (PubChem CID 104975782) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
PubChem CID104975782
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
SMILESC[C@@H]1CN(Cc2nc3ccccc3[nH]c2=O)CCN1
InChIInChI=1S/C14H18N4O/c1-10-8-18(7-6-15-10)9-13-14(19)17-12-5-3-2-4-11(12)16-13/h2-5,10,15H,6-9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyWSYSKXZHCDIXPO-SNVBAGLBSA-N
XLogP0.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
CID 78963602
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
CID 119924677
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
3-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102785485
3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
CID 86774553
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442128
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one (CID 104975782) is 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one is C[C@@H]1CN(Cc2nc3ccccc3[nH]c2=O)CCN1.
What is the InChIKey of 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one?
The InChIKey is WSYSKXZHCDIXPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-18(7-6-15-10)9-13-14(19)17-12-5-3-2-4-11(12)16-13/h2-5,10,15H,6-9H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one?
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 104975782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).