2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one

C23H28N4O — CID 57403295

IUPAC2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
SMILESCN1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCN(C)CC4)ccc2-3)CC1
InChIInChI=1S/C23H28N4O/c1-24-7-11-26(12-8-24)17-3-5-19-20-6-4-18(27-13-9-25(2)10-14-27)16-22(20)23(28)21(19)15-17/h3-6,15-16H,7-14H2,1-2H3
InChIKeyDJVVVZJIWWEDHF-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.40
Rot. Bonds2

About 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one

2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one (PubChem CID 57403295) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
PubChem CID57403295
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
SMILESCN1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCN(C)CC4)ccc2-3)CC1
InChIInChI=1S/C23H28N4O/c1-24-7-11-26(12-8-24)17-3-5-19-20-6-4-18(27-13-9-25(2)10-14-27)16-22(20)23(28)21(19)15-17/h3-6,15-16H,7-14H2,1-2H3
InChIKeyDJVVVZJIWWEDHF-UHFFFAOYSA-N
XLogP2.40
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-bis[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
CID 67164232
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
2-cyclohexyl-6-(4-methylpiperazin-1-yl)-3H-isoindol-1-one
CID 21129747
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
2-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
CID 67163039
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid
CID 154125331
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
2-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylpiperazin-1-yl)-3H-isoindol-1-one
CID 68902126
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one?
The IUPAC name of 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one (CID 57403295) is 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one?
The canonical SMILES for 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one is CN1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCN(C)CC4)ccc2-3)CC1.
What is the InChIKey of 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one?
The InChIKey is DJVVVZJIWWEDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-24-7-11-26(12-8-24)17-3-5-19-20-6-4-18(27-13-9-25(2)10-14-27)16-22(20)23(28)21(19)15-17/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one?
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one has a molecular weight of 376.50 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one is sourced from PubChem (CID 57403295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).