N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C16H23F3N4O3 — CID 110288369

IUPACN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nnc(C(CC(C)C)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C16H23F3N4O3/c1-9(2)8-12(14-22-21-10(3)26-14)20-13(24)11-4-6-23(7-5-11)15(25)16(17,18)19/h9,11-12H,4-8H2,1-3H3,(H,20,24)
InChIKeyOISPSLFMVKQSJM-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.38
Rot. Bonds5

About N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110288369) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110288369
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC NameN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nnc(C(CC(C)C)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1
InChIInChI=1S/C16H23F3N4O3/c1-9(2)8-12(14-22-21-10(3)26-14)20-13(24)11-4-6-23(7-5-11)15(25)16(17,18)19/h9,11-12H,4-8H2,1-3H3,(H,20,24)
InChIKeyOISPSLFMVKQSJM-UHFFFAOYSA-N
XLogP2.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110627457
1-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-5-oxopyrrolidine-3-carboxamide
CID 110627367
2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110603052
N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112502367
3-cyclopropyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-3-(4-methylphenyl)propanamide
CID 110307373
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402891
1-acetyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]piperidine-4-carboxamide
CID 95189029
3-cyclohexyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110627404
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110370264
4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide
CID 110307382
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110710374
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110288369) is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1nnc(C(CC(C)C)NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)o1.
What is the InChIKey of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is OISPSLFMVKQSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3/c1-9(2)8-12(14-22-21-10(3)26-14)20-13(24)11-4-6-23(7-5-11)15(25)16(17,18)19/h9,11-12H,4-8H2,1-3H3,(H,20,24).
What are the key properties of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110288369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).