N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C19H23F3N2O2 — CID 171904030

IUPACN-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCCC1Cc2cc(C)ccc2C1NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C19H23F3N2O2/c1-3-11-9-12-8-10(2)4-5-13(12)16(11)24-18(26)14-6-7-15(19(20,21)22)23-17(14)25/h4-5,8,11,14-16H,3,6-7,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySVVNCBHDZAFRHU-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.19
Rot. Bonds3

About N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904030) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904030
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC NameN-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCCC1Cc2cc(C)ccc2C1NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C19H23F3N2O2/c1-3-11-9-12-8-10(2)4-5-13(12)16(11)24-18(26)14-6-7-15(19(20,21)22)23-17(14)25/h4-5,8,11,14-16H,3,6-7,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySVVNCBHDZAFRHU-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.19
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-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904030) is N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is CCC1Cc2cc(C)ccc2C1NC(=O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is SVVNCBHDZAFRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-3-11-9-12-8-10(2)4-5-13(12)16(11)24-18(26)14-6-7-15(19(20,21)22)23-17(14)25/h4-5,8,11,14-16H,3,6-7,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).