N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C19H27F3N2O2 — CID 89312161

IUPACN-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NC1C2CCCC3CC1CC3C2)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N2O2/c20-19(21,22)18(26)24-6-4-11(5-7-24)17(25)23-16-13-3-1-2-12-8-15(16)10-14(12)9-13/h11-16H,1-10H2,(H,23,25)
InChIKeyXXCQAWSKVAKHQF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.12
Rot. Bonds2

About N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 89312161) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID89312161
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC NameN-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NC1C2CCCC3CC1CC3C2)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N2O2/c20-19(21,22)18(26)24-6-4-11(5-7-24)17(25)23-16-13-3-1-2-12-8-15(16)10-14(12)9-13/h11-16H,1-10H2,(H,23,25)
InChIKeyXXCQAWSKVAKHQF-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 89312161) is N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NC1C2CCCC3CC1CC3C2)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is XXCQAWSKVAKHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c20-19(21,22)18(26)24-6-4-11(5-7-24)17(25)23-16-13-3-1-2-12-8-15(16)10-14(12)9-13/h11-16H,1-10H2,(H,23,25).
What are the key properties of N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-tricyclo[5.3.1.03,9]undecanyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 89312161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).