1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C21H26F3N3O3 — CID 38455827

IUPAC1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H26F3N3O3/c1-26(19(29)17-8-10-27(11-9-17)20(30)16-6-7-16)12-14-2-4-15(5-3-14)18(28)25-13-21(22,23)24/h2-5,16-17H,6-13H2,1H3,(H,25,28)
InChIKeyNDFSRBWUQGZDBK-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.59
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 38455827) has the molecular formula C21H26F3N3O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID38455827
Molecular FormulaC21H26F3N3O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC Name1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H26F3N3O3/c1-26(19(29)17-8-10-27(11-9-17)20(30)16-6-7-16)12-14-2-4-15(5-3-14)18(28)25-13-21(22,23)24/h2-5,16-17H,6-13H2,1H3,(H,25,28)
InChIKeyNDFSRBWUQGZDBK-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 38455827) is 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is NDFSRBWUQGZDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O3/c1-26(19(29)17-8-10-27(11-9-17)20(30)16-6-7-16)12-14-2-4-15(5-3-14)18(28)25-13-21(22,23)24/h2-5,16-17H,6-13H2,1H3,(H,25,28).
What are the key properties of 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38455827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).