[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone

C20H20N4O2 — CID 95110711

IUPAC[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C20H20N4O2/c25-20(16-11-10-13-5-1-2-6-15(13)21-16)24-12-4-3-7-17(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,17H,3-4,7-9,12H2/t17-/m0/s1
InChIKeyNLZYMMAIDJKUQK-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.86
Rot. Bonds3

About [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone

[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 95110711) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID95110711
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C20H20N4O2/c25-20(16-11-10-13-5-1-2-6-15(13)21-16)24-12-4-3-7-17(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,17H,3-4,7-9,12H2/t17-/m0/s1
InChIKeyNLZYMMAIDJKUQK-KRWDZBQOSA-N
XLogP3.86
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532
[(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 95110708
1,3-benzothiazol-2-yl-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564620
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95110723
(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 110118432
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 90564564
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53338100
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 90564410
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110120660

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone (CID 95110711) is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is NLZYMMAIDJKUQK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(16-11-10-13-5-1-2-6-15(13)21-16)24-12-4-3-7-17(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,17H,3-4,7-9,12H2/t17-/m0/s1.
What are the key properties of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone?
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 95110711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).