[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C21H27N5O2 — CID 167901383

IUPAC[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC(c2nc(-c3ccc4c(n3)CCCC4)no2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(18-6-3-11-22-18)26-12-9-15(10-13-26)20-24-19(25-28-20)17-8-7-14-4-1-2-5-16(14)23-17/h7-8,15,18,22H,1-6,9-13H2/t18-/m0/s1
InChIKeyBAQQRTFYPYUWJR-SFHVURJKSA-N
MW381.48 g/mol
LogP2.47
Rot. Bonds3

About [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 167901383) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID167901383
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC(c2nc(-c3ccc4c(n3)CCCC4)no2)CC1
InChIInChI=1S/C21H27N5O2/c27-21(18-6-3-11-22-18)26-12-9-15(10-13-26)20-24-19(25-28-20)17-8-7-14-4-1-2-5-16(14)23-17/h7-8,15,18,22H,1-6,9-13H2/t18-/m0/s1
InChIKeyBAQQRTFYPYUWJR-SFHVURJKSA-N
XLogP2.47
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

5-cyclopropyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazole
CID 127869209
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119870816
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119873977
[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192468
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119343470
[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 95111210
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 44628150
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
CID 56664981

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 167901383) is [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C([C@@H]1CCCN1)N1CCC(c2nc(-c3ccc4c(n3)CCCC4)no2)CC1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is BAQQRTFYPYUWJR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(18-6-3-11-22-18)26-12-9-15(10-13-26)20-24-19(25-28-20)17-8-7-14-4-1-2-5-16(14)23-17/h7-8,15,18,22H,1-6,9-13H2/t18-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
[(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 167901383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).