1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide

C22H22F3N3O — CID 156774157

IUPAC1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCN(C)C(=O)C1CCC(c2ccc(C(F)(F)F)cc2)CN1c1ccc(C#N)cc1
InChIInChI=1S/C22H22F3N3O/c1-27(2)21(29)20-12-7-17(16-5-8-18(9-6-16)22(23,24)25)14-28(20)19-10-3-15(13-26)4-11-19/h3-6,8-11,17,20H,7,12,14H2,1-2H3
InChIKeyLYBXJJDSGNJQIL-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide

1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide (PubChem CID 156774157) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
PubChem CID156774157
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCN(C)C(=O)C1CCC(c2ccc(C(F)(F)F)cc2)CN1c1ccc(C#N)cc1
InChIInChI=1S/C22H22F3N3O/c1-27(2)21(29)20-12-7-17(16-5-8-18(9-6-16)22(23,24)25)14-28(20)19-10-3-15(13-26)4-11-19/h3-6,8-11,17,20H,7,12,14H2,1-2H3
InChIKeyLYBXJJDSGNJQIL-UHFFFAOYSA-N
XLogP4.42
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide (CID 156774157) is 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide is CN(C)C(=O)C1CCC(c2ccc(C(F)(F)F)cc2)CN1c1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is LYBXJJDSGNJQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-27(2)21(29)20-12-7-17(16-5-8-18(9-6-16)22(23,24)25)14-28(20)19-10-3-15(13-26)4-11-19/h3-6,8-11,17,20H,7,12,14H2,1-2H3.
What are the key properties of 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N,N-dimethyl-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 156774157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).