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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Related Compounds

N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 172880763
1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 172893555
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 166603104
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 171335666
ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 155980533
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032224
6-tert-butyl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944433
N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
CID 163349137

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).