[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone

C14H16N4O — CID 81426962

IUPAC[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CCN1
InChIInChI=1S/C14H16N4O/c1-10-9-18(7-6-15-10)14(19)11-2-3-12-13(8-11)17-5-4-16-12/h2-5,8,10,15H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyVHUKCGXOFFWGJD-SNVBAGLBSA-N
MW256.31 g/mol
LogP1.06
Rot. Bonds1

About [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone

[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 81426962) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID81426962
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CCN1
InChIInChI=1S/C14H16N4O/c1-10-9-18(7-6-15-10)14(19)11-2-3-12-13(8-11)17-5-4-16-12/h2-5,8,10,15H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyVHUKCGXOFFWGJD-SNVBAGLBSA-N
XLogP1.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone (CID 81426962) is [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone is C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is VHUKCGXOFFWGJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-9-18(7-6-15-10)14(19)11-2-3-12-13(8-11)17-5-4-16-12/h2-5,8,10,15H,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone?
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 81426962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).