1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one

C18H22N4O2 — CID 167811634

IUPAC1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](c2nc(-c3ccc(N4CCCC4=O)cc3)no2)CCN1
InChIInChI=1S/C18H22N4O2/c1-12-11-14(8-9-19-12)18-20-17(21-24-18)13-4-6-15(7-5-13)22-10-2-3-16(22)23/h4-7,12,14,19H,2-3,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyCBDDLFIEVKIBQW-TZMCWYRMSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds3

About 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one

1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one (PubChem CID 167811634) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
PubChem CID167811634
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](c2nc(-c3ccc(N4CCCC4=O)cc3)no2)CCN1
InChIInChI=1S/C18H22N4O2/c1-12-11-14(8-9-19-12)18-20-17(21-24-18)13-4-6-15(7-5-13)22-10-2-3-16(22)23/h4-7,12,14,19H,2-3,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyCBDDLFIEVKIBQW-TZMCWYRMSA-N
XLogP2.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743582
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
3-(3-bromo-4-methylphenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 107916321
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
3-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
3-(3-fluoro-4-methylphenyl)-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120837142
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
CID 120839428
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629924
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 60525395
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one (CID 167811634) is 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one is C[C@@H]1C[C@H](c2nc(-c3ccc(N4CCCC4=O)cc3)no2)CCN1.
What is the InChIKey of 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
The InChIKey is CBDDLFIEVKIBQW-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-11-14(8-9-19-12)18-20-17(21-24-18)13-4-6-15(7-5-13)22-10-2-3-16(22)23/h4-7,12,14,19H,2-3,8-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one?
1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167811634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).