1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide

C21H21F3N2O2 — CID 59492480

IUPAC1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C21H21F3N2O2/c1-25-19(27)13-8-10-26(11-9-13)14-6-7-16-15-4-2-3-5-17(15)20(28,18(16)12-14)21(22,23)24/h2-7,12-13,28H,8-11H2,1H3,(H,25,27)
InChIKeyCQTDCDPXNRPWJD-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.43
Rot. Bonds2

About 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide

1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 59492480) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID59492480
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C21H21F3N2O2/c1-25-19(27)13-8-10-26(11-9-13)14-6-7-16-15-4-2-3-5-17(15)20(28,18(16)12-14)21(22,23)24/h2-7,12-13,28H,8-11H2,1H3,(H,25,27)
InChIKeyCQTDCDPXNRPWJD-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide (CID 59492480) is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CQTDCDPXNRPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-25-19(27)13-8-10-26(11-9-13)14-6-7-16-15-4-2-3-5-17(15)20(28,18(16)12-14)21(22,23)24/h2-7,12-13,28H,8-11H2,1H3,(H,25,27).
What are the key properties of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide?
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 59492480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).