1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

C19H26N4O — CID 86581408

IUPAC1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCN(C)CC1
InChIInChI=1S/C19H26N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyVRPANPXBTJGFJD-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.62
Rot. Bonds2

About 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 86581408) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID86581408
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCN(C)CC1
InChIInChI=1S/C19H26N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyVRPANPXBTJGFJD-UHFFFAOYSA-N
XLogP1.62
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one (CID 86581408) is 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCN(C)CC1.
What is the InChIKey of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is VRPANPXBTJGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(21-9-7-20(2)8-10-21)19(24)22-11-12-23-17(14-22)13-16-5-3-4-6-18(16)23/h3-6,13,15H,7-12,14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 86581408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).