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

C17H19F3N2O2 — CID 171903988

IUPACN-(6-methyl-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)CC2
InChIInChI=1S/C17H19F3N2O2/c1-9-2-3-10-4-6-13(12(10)8-9)21-15(23)11-5-7-14(17(18,19)20)22-16(11)24/h2-3,8,11,13-14H,4-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyVWIQWTQFLJAPNY-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.56
Rot. Bonds2

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

N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903988) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903988
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-(6-methyl-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)CC2
InChIInChI=1S/C17H19F3N2O2/c1-9-2-3-10-4-6-13(12(10)8-9)21-15(23)11-5-7-14(17(18,19)20)22-16(11)24/h2-3,8,11,13-14H,4-7H2,1H3,(H,21,23)(H,22,24)
InChIKeyVWIQWTQFLJAPNY-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.56
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-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903988) is N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-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)CC2.
What is the InChIKey of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is VWIQWTQFLJAPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-9-2-3-10-4-6-13(12(10)8-9)21-15(23)11-5-7-14(17(18,19)20)22-16(11)24/h2-3,8,11,13-14H,4-7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).