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

C15H21F3N4O2 — CID 171335579

IUPACN-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-21(13(23)10-3-2-4-10)11-5-7-22(8-6-11)9-12-19-20-14(24-12)15(16,17)18/h10-11H,2-9H2,1H3
InChIKeySLBKVTNOBCQELY-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.31
Rot. Bonds4

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

N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 171335579) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID171335579
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-21(13(23)10-3-2-4-10)11-5-7-22(8-6-11)9-12-19-20-14(24-12)15(16,17)18/h10-11H,2-9H2,1H3
InChIKeySLBKVTNOBCQELY-UHFFFAOYSA-N
XLogP2.31
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide (CID 171335579) is N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide is CN(C(=O)C1CCC1)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]cyclobutanecarboxamide?
The InChIKey is SLBKVTNOBCQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-21(13(23)10-3-2-4-10)11-5-7-22(8-6-11)9-12-19-20-14(24-12)15(16,17)18/h10-11H,2-9H2,1H3.
What are the key properties of N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide?
N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]cyclobutanecarboxamide is sourced from PubChem (CID 171335579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).