N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C21H23F3N4O — CID 91809922

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NC3CCc4ccccc43)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H23F3N4O/c1-13-25-18(21(22,23)24)12-19(26-13)28-10-8-15(9-11-28)20(29)27-17-7-6-14-4-2-3-5-16(14)17/h2-5,12,15,17H,6-11H2,1H3,(H,27,29)
InChIKeyQCHMHJSJAKSRPZ-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.82
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809922) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809922
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NC3CCc4ccccc43)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H23F3N4O/c1-13-25-18(21(22,23)24)12-19(26-13)28-10-8-15(9-11-28)20(29)27-17-7-6-14-4-2-3-5-16(14)17/h2-5,12,15,17H,6-11H2,1H3,(H,27,29)
InChIKeyQCHMHJSJAKSRPZ-UHFFFAOYSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809922) is N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NC3CCc4ccccc43)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is QCHMHJSJAKSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-13-25-18(21(22,23)24)12-19(26-13)28-10-8-15(9-11-28)20(29)27-17-7-6-14-4-2-3-5-16(14)17/h2-5,12,15,17H,6-11H2,1H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).