1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide

C17H26F3N3O — CID 71979289

IUPAC1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C17H26F3N3O/c18-17(19,20)13-23-10-5-14(6-11-23)4-9-22-15(24)16(12-21)7-2-1-3-8-16/h14H,1-11,13H2,(H,22,24)
InChIKeyONKPTCURAZEEOR-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.24
Rot. Bonds5

About 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 71979289) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID71979289
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C17H26F3N3O/c18-17(19,20)13-23-10-5-14(6-11-23)4-9-22-15(24)16(12-21)7-2-1-3-8-16/h14H,1-11,13H2,(H,22,24)
InChIKeyONKPTCURAZEEOR-UHFFFAOYSA-N
XLogP3.24
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide (CID 71979289) is 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is ONKPTCURAZEEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c18-17(19,20)13-23-10-5-14(6-11-23)4-9-22-15(24)16(12-21)7-2-1-3-8-16/h14H,1-11,13H2,(H,22,24).
What are the key properties of 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).