[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone

C21H30N4O3 — CID 91918637

IUPAC[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCOCCn1c(C)cc(C(=O)N2CCCC(Cc3noc(C4CC4)n3)C2)c1C
InChIInChI=1S/C21H30N4O3/c1-14-11-18(15(2)25(14)9-10-27-3)21(26)24-8-4-5-16(13-24)12-19-22-20(28-23-19)17-6-7-17/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyGJKMJSKNJRGMNU-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.11
Rot. Bonds7

About [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone

[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone (PubChem CID 91918637) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
PubChem CID91918637
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
SMILESCOCCn1c(C)cc(C(=O)N2CCCC(Cc3noc(C4CC4)n3)C2)c1C
InChIInChI=1S/C21H30N4O3/c1-14-11-18(15(2)25(14)9-10-27-3)21(26)24-8-4-5-16(13-24)12-19-22-20(28-23-19)17-6-7-17/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyGJKMJSKNJRGMNU-UHFFFAOYSA-N
XLogP3.11
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The IUPAC name of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone (CID 91918637) is [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone.
What is the SMILES notation for [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The canonical SMILES for [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone is COCCn1c(C)cc(C(=O)N2CCCC(Cc3noc(C4CC4)n3)C2)c1C.
What is the InChIKey of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
The InChIKey is GJKMJSKNJRGMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-11-18(15(2)25(14)9-10-27-3)21(26)24-8-4-5-16(13-24)12-19-22-20(28-23-19)17-6-7-17/h11,16-17H,4-10,12-13H2,1-3H3.
What are the key properties of [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone?
[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone is sourced from PubChem (CID 91918637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).