N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C18H21F3N2O2 — CID 171904010

IUPACN-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CCC(C(F)(F)F)NC1=O)C(C)C2
InChIInChI=1S/C18H21F3N2O2/c1-9-3-4-11-8-10(2)15(13(11)7-9)23-17(25)12-5-6-14(18(19,20)21)22-16(12)24/h3-4,7,10,12,14-15H,5-6,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVFNNHGAAHPDYLW-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.80
Rot. Bonds2

About N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904010) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904010
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CCC(C(F)(F)F)NC1=O)C(C)C2
InChIInChI=1S/C18H21F3N2O2/c1-9-3-4-11-8-10(2)15(13(11)7-9)23-17(25)12-5-6-14(18(19,20)21)22-16(12)24/h3-4,7,10,12,14-15H,5-6,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVFNNHGAAHPDYLW-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904010) is N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1ccc2c(c1)C(NC(=O)C1CCC(C(F)(F)F)NC1=O)C(C)C2.
What is the InChIKey of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is VFNNHGAAHPDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-9-3-4-11-8-10(2)15(13(11)7-9)23-17(25)12-5-6-14(18(19,20)21)22-16(12)24/h3-4,7,10,12,14-15H,5-6,8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).