4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one

C21H21NO2 — CID 3146156

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one
SMILESCC1CC(C)CN(C(=O)c2cccc3c2-c2ccccc2C3=O)C1
InChIInChI=1S/C21H21NO2/c1-13-10-14(2)12-22(11-13)21(24)18-9-5-8-17-19(18)15-6-3-4-7-16(15)20(17)23/h3-9,13-14H,10-12H2,1-2H3
InChIKeyXCBFQMOXSCFTNJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.02
Rot. Bonds1

About 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one

4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one (PubChem CID 3146156) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one
PubChem CID3146156
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one
SMILESCC1CC(C)CN(C(=O)c2cccc3c2-c2ccccc2C3=O)C1
InChIInChI=1S/C21H21NO2/c1-13-10-14(2)12-22(11-13)21(24)18-9-5-8-17-19(18)15-6-3-4-7-16(15)20(17)23/h3-9,13-14H,10-12H2,1-2H3
InChIKeyXCBFQMOXSCFTNJ-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one (CID 3146156) is 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one is CC1CC(C)CN(C(=O)c2cccc3c2-c2ccccc2C3=O)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one?
The InChIKey is XCBFQMOXSCFTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-10-14(2)12-22(11-13)21(24)18-9-5-8-17-19(18)15-6-3-4-7-16(15)20(17)23/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one?
4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one has a molecular weight of 319.40 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)fluoren-9-one is sourced from PubChem (CID 3146156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).