N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide

C19H22F3N5O2 — CID 112819537

IUPACN-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-2-9-23-17(28)13-7-10-26(11-8-13)18(29)15-12-27(25-24-15)16-6-4-3-5-14(16)19(20,21)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,28)
InChIKeyAVRBSYPFSQGHPY-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.66
Rot. Bonds5

About N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide

N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 112819537) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID112819537
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC NameN-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-2-9-23-17(28)13-7-10-26(11-8-13)18(29)15-12-27(25-24-15)16-6-4-3-5-14(16)19(20,21)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,28)
InChIKeyAVRBSYPFSQGHPY-UHFFFAOYSA-N
XLogP2.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide (CID 112819537) is N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1.
What is the InChIKey of N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is AVRBSYPFSQGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-2-9-23-17(28)13-7-10-26(11-8-13)18(29)15-12-27(25-24-15)16-6-4-3-5-14(16)19(20,21)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,28).
What are the key properties of N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide?
N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 112819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).