1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one

C23H24N4O3 — CID 45487363

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one
SMILESCC(Oc1cccc2nccnc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C23H24N4O3/c1-16-15-26(23(29)18-7-4-3-5-8-18)13-14-27(16)22(28)17(2)30-20-10-6-9-19-21(20)25-12-11-24-19/h3-12,16-17H,13-15H2,1-2H3/t16-,17?/m1/s1
InChIKeyRAHAMDOWXJCPRG-TZHYSIJRSA-N
MW404.47 g/mol
LogP2.77
Rot. Bonds4

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one (PubChem CID 45487363) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one
PubChem CID45487363
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one
SMILESCC(Oc1cccc2nccnc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C23H24N4O3/c1-16-15-26(23(29)18-7-4-3-5-8-18)13-14-27(16)22(28)17(2)30-20-10-6-9-19-21(20)25-12-11-24-19/h3-12,16-17H,13-15H2,1-2H3/t16-,17?/m1/s1
InChIKeyRAHAMDOWXJCPRG-TZHYSIJRSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 10554743
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CID 10674242
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CID 11801083
CID 11801083
CID 45487320
CID 45487320
CID 45487339
CID 45487339
CID 46212539
CID 46212539
CID 652735
CID 652735
CID 11509984
CID 11509984
CID 45487321
CID 45487321
CID 45487380
CID 45487380
CID 90328783
CID 90328783
CID 649937
CID 649937

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one (CID 45487363) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one is CC(Oc1cccc2nccnc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one?
The InChIKey is RAHAMDOWXJCPRG-TZHYSIJRSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-15-26(23(29)18-7-4-3-5-8-18)13-14-27(16)22(28)17(2)30-20-10-6-9-19-21(20)25-12-11-24-19/h3-12,16-17H,13-15H2,1-2H3/t16-,17?/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one has a molecular weight of 404.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinoxalin-5-yloxypropan-1-one is sourced from PubChem (CID 45487363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).