1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine

C15H21F3N4O2 — CID 128991945

IUPAC(1-methylpyrrolidin-2-yl)-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCN1CCCC1C(=O)N2CCCCC2C3=NN=C(O3)CC(F)(F)F
InChIInChI=1S/C15H21F3N4O2/c1-21-7-4-6-11(21)14(23)22-8-3-2-5-10(22)13-20-19-12(24-13)9-15(16,17)18/h10-11H,2-9H2,1H3
InChIKeyAUUMIMWQRQMHLQ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine

1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine (PubChem CID 128991945) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine
PubChem CID128991945
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(1-methylpyrrolidin-2-yl)-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCN1CCCC1C(=O)N2CCCCC2C3=NN=C(O3)CC(F)(F)F
InChIInChI=1S/C15H21F3N4O2/c1-21-7-4-6-11(21)14(23)22-8-3-2-5-10(22)13-20-19-12(24-13)9-15(16,17)18/h10-11H,2-9H2,1H3
InChIKeyAUUMIMWQRQMHLQ-UHFFFAOYSA-N
XLogP2.00
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity462

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2,6-Dimethylpiperidin-1-yl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 75399816
1-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-L-prolyl}piperidine
CID 118791657
2-[(2S)-4,4-difluoro-1-(oxan-4-yl)pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
CID 124050953
cyclopropyl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 100657842
cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 100657854
1-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657871
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
2,2,2-Trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110395602
2,2,2-Trifluoro-1-[2-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110395780
2,2,2-Trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110396059
2,2,2-Trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110423708
1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 124050979

Frequently Asked Questions

What is the IUPAC name of 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine?
The IUPAC name of 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine (CID 128991945) is (1-methylpyrrolidin-2-yl)-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine?
The canonical SMILES for 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine is CN1CCCC1C(=O)N2CCCCC2C3=NN=C(O3)CC(F)(F)F.
What is the InChIKey of 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine?
The InChIKey is AUUMIMWQRQMHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-21-7-4-6-11(21)14(23)22-8-3-2-5-10(22)13-20-19-12(24-13)9-15(16,17)18/h10-11H,2-9H2,1H3.
What are the key properties of 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine?
1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine has a molecular weight of 346.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-Methylpyrrolidine-2-carbonyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidine is sourced from PubChem (CID 128991945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).