N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C18H24F3N3O — CID 60516432

IUPACN-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)14-6-4-5-13(11-14)17(25)23-16-8-7-15(12-22-16)24-9-2-1-3-10-24/h7-8,12-14H,1-6,9-11H2,(H,22,23,25)
InChIKeyBNBJUPSMUWCDFE-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.38
Rot. Bonds3

About N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 60516432) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID60516432
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)14-6-4-5-13(11-14)17(25)23-16-8-7-15(12-22-16)24-9-2-1-3-10-24/h7-8,12-14H,1-6,9-11H2,(H,22,23,25)
InChIKeyBNBJUPSMUWCDFE-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 60516432) is N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(N2CCCCC2)cn1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BNBJUPSMUWCDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)14-6-4-5-13(11-14)17(25)23-16-8-7-15(12-22-16)24-9-2-1-3-10-24/h7-8,12-14H,1-6,9-11H2,(H,22,23,25).
What are the key properties of N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60516432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).