(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C15H22F3N5O — CID 119707245

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(F)(F)F)CC2)nnn1C1CCNCC1
InChIInChI=1S/C15H22F3N5O/c1-10-13(20-21-23(10)12-2-6-19-7-3-12)14(24)22-8-4-11(5-9-22)15(16,17)18/h11-12,19H,2-9H2,1H3
InChIKeyHZAXCVYDGPYKIW-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.93
Rot. Bonds2

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 119707245) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID119707245
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(F)(F)F)CC2)nnn1C1CCNCC1
InChIInChI=1S/C15H22F3N5O/c1-10-13(20-21-23(10)12-2-6-19-7-3-12)14(24)22-8-4-11(5-9-22)15(16,17)18/h11-12,19H,2-9H2,1H3
InChIKeyHZAXCVYDGPYKIW-UHFFFAOYSA-N
XLogP1.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 119707245) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)nnn1C1CCNCC1.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is HZAXCVYDGPYKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-10-13(20-21-23(10)12-2-6-19-7-3-12)14(24)22-8-4-11(5-9-22)15(16,17)18/h11-12,19H,2-9H2,1H3.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119707245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).