N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine

C15H18F3N5O — CID 163345503

IUPACN-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESCN(c1ccccn1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H18F3N5O/c1-22(12-4-2-3-7-19-12)11-5-8-23(9-6-11)10-13-20-21-14(24-13)15(16,17)18/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyKFHZJFXYIXIMSL-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine

N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine (PubChem CID 163345503) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine
PubChem CID163345503
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESCN(c1ccccn1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H18F3N5O/c1-22(12-4-2-3-7-19-12)11-5-8-23(9-6-11)10-13-20-21-14(24-13)15(16,17)18/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyKFHZJFXYIXIMSL-UHFFFAOYSA-N
XLogP2.58
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine (CID 163345503) is N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine is CN(c1ccccn1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The InChIKey is KFHZJFXYIXIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22(12-4-2-3-7-19-12)11-5-8-23(9-6-11)10-13-20-21-14(24-13)15(16,17)18/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine?
N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine has a molecular weight of 341.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 163345503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).