2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one

C25H22N2O2 — CID 134042687

IUPAC2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(c2ccccc2)C1
InChIInChI=1S/C25H22N2O2/c1-26-13-14-27(23(16-26)17-7-3-2-4-8-17)25(29)18-11-12-20-19-9-5-6-10-21(19)24(28)22(20)15-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyBDCIIWNWLZVVEE-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one

2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one (PubChem CID 134042687) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one.

Molecular Properties

Compound Name2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
PubChem CID134042687
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(c2ccccc2)C1
InChIInChI=1S/C25H22N2O2/c1-26-13-14-27(23(16-26)17-7-3-2-4-8-17)25(29)18-11-12-20-19-9-5-6-10-21(19)24(28)22(20)15-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyBDCIIWNWLZVVEE-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
CID 155962442
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one?
The IUPAC name of 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one (CID 134042687) is 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one.
What is the SMILES notation for 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one?
The canonical SMILES for 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one is CN1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one?
The InChIKey is BDCIIWNWLZVVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-26-13-14-27(23(16-26)17-7-3-2-4-8-17)25(29)18-11-12-20-19-9-5-6-10-21(19)24(28)22(20)15-18/h2-12,15,23H,13-14,16H2,1H3.
What are the key properties of 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one?
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one has a molecular weight of 382.46 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one is sourced from PubChem (CID 134042687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).