1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one

C22H22N4O4S — CID 119037790

IUPAC1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(C(=O)N2CCOCC2c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C22H22N4O4S/c27-19-5-1-2-10-25(19)16-8-6-15(7-9-16)22(28)26-11-12-29-14-17(26)21-23-20(24-30-21)18-4-3-13-31-18/h3-4,6-9,13,17H,1-2,5,10-12,14H2
InChIKeyRGEMUUOJHANYFP-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one

1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one (PubChem CID 119037790) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one
PubChem CID119037790
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(C(=O)N2CCOCC2c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C22H22N4O4S/c27-19-5-1-2-10-25(19)16-8-6-15(7-9-16)22(28)26-11-12-29-14-17(26)21-23-20(24-30-21)18-4-3-13-31-18/h3-4,6-9,13,17H,1-2,5,10-12,14H2
InChIKeyRGEMUUOJHANYFP-UHFFFAOYSA-N
XLogP3.53
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one with MolForge

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Related Compounds

3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propanoic acid
CID 167927950
(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 100763732
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
(4R)-1-(3-chloro-4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 93492784
(4-bromophenyl)-[(3R)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457358
(4-bromophenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457355
4-(piperidin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120858346
N-[(4-chlorophenyl)methyl]-2-[(2S)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95104348
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 60525395
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 119037918
(3S,4R)-3-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxolan-2-one
CID 39767460

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one (CID 119037790) is 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(C(=O)N2CCOCC2c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one?
The InChIKey is RGEMUUOJHANYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c27-19-5-1-2-10-25(19)16-8-6-15(7-9-16)22(28)26-11-12-29-14-17(26)21-23-20(24-30-21)18-4-3-13-31-18/h3-4,6-9,13,17H,1-2,5,10-12,14H2.
What are the key properties of 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one?
1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one has a molecular weight of 438.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine-4-carbonyl]phenyl]piperidin-2-one is sourced from PubChem (CID 119037790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).