1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C22H26N4O4 — CID 128973663

IUPAC1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H26N4O4/c1-28-22(21-24-19(25-30-21)15-6-12-29-13-7-15)8-10-26(11-9-22)20(27)18-14-16-4-2-3-5-17(16)23-18/h2-5,14-15,23H,6-13H2,1H3
InChIKeySSJDMRONRLVKMY-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.22
Rot. Bonds4

About 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 128973663) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID128973663
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H26N4O4/c1-28-22(21-24-19(25-30-21)15-6-12-29-13-7-15)8-10-26(11-9-22)20(27)18-14-16-4-2-3-5-17(16)23-18/h2-5,14-15,23H,6-13H2,1H3
InChIKeySSJDMRONRLVKMY-UHFFFAOYSA-N
XLogP3.22
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 50831443
N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 128973592
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
(5-chloro-2-pyridinyl)-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methanone
CID 128973660
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 128973617
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 120630039
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 128973663) is 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is SSJDMRONRLVKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-28-22(21-24-19(25-30-21)15-6-12-29-13-7-15)8-10-26(11-9-22)20(27)18-14-16-4-2-3-5-17(16)23-18/h2-5,14-15,23H,6-13H2,1H3.
What are the key properties of 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 410.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128973663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).