[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone

C32H37FN4O2 — CID 146418951

IUPAC[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone
SMILESCN1CCN(CCCOc2ccc(F)cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C32H37FN4O2/c1-34-14-16-35(17-15-34)13-6-22-39-30-12-11-24(33)23-29(30)32(38)37-20-18-36(19-21-37)31-27-9-4-2-7-25(27)26-8-3-5-10-28(26)31/h2-5,7-12,23,31H,6,13-22H2,1H3
InChIKeyFCFURNNKIJBCJE-UHFFFAOYSA-N
MW528.67 g/mol
LogP4.37
Rot. Bonds7

About [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone

[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone (PubChem CID 146418951) has the molecular formula C32H37FN4O2 and a molecular weight of 528.67 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone
PubChem CID146418951
Molecular FormulaC32H37FN4O2
Molecular Weight528.67 g/mol
Exact Mass528.29
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone
SMILESCN1CCN(CCCOc2ccc(F)cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1
InChIInChI=1S/C32H37FN4O2/c1-34-14-16-35(17-15-34)13-6-22-39-30-12-11-24(33)23-29(30)32(38)37-20-18-36(19-21-37)31-27-9-4-2-7-25(27)26-8-3-5-10-28(26)31/h2-5,7-12,23,31H,6,13-22H2,1H3
InChIKeyFCFURNNKIJBCJE-UHFFFAOYSA-N
XLogP4.37
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.67
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanone
CID 146418748
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 118775958
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181
acetic acid;[2-(2-aminoethoxy)-5-fluorophenyl]-(4-cyclohexyl-1,4-diazepan-1-yl)methanone
CID 154905887
[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone
CID 4226169
[5-fluoro-2-(trifluoromethyl)phenyl]-(4-pentylpiperazin-1-yl)methanone
CID 174546049
[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-(oxan-4-yl)methanone
CID 138387472
(Z)-but-2-enedioic acid;1-(9,10-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4-methylpiperazine
CID 70457908
(5-bromo-2-dodecoxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 45044880
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone (CID 146418951) is [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone is CN1CCN(CCCOc2ccc(F)cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
The InChIKey is FCFURNNKIJBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O2/c1-34-14-16-35(17-15-34)13-6-22-39-30-12-11-24(33)23-29(30)32(38)37-20-18-36(19-21-37)31-27-9-4-2-7-25(27)26-8-3-5-10-28(26)31/h2-5,7-12,23,31H,6,13-22H2,1H3.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone?
[4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone has a molecular weight of 528.67 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-yl)piperazin-1-yl]-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methanone is sourced from PubChem (CID 146418951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).