(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C18H23N3O5 — CID 91918435

IUPAC(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOCc1nc(C2CCCN(C(=O)c3ccc(OC)cc3OC)C2)no1
InChIInChI=1S/C18H23N3O5/c1-23-11-16-19-17(20-26-16)12-5-4-8-21(10-12)18(22)14-7-6-13(24-2)9-15(14)25-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKeyYIKOTPYSTBFVHA-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.25
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 91918435) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID91918435
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOCc1nc(C2CCCN(C(=O)c3ccc(OC)cc3OC)C2)no1
InChIInChI=1S/C18H23N3O5/c1-23-11-16-19-17(20-26-16)12-5-4-8-21(10-12)18(22)14-7-6-13(24-2)9-15(14)25-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChIKeyYIKOTPYSTBFVHA-UHFFFAOYSA-N
XLogP2.25
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91918458
(2,4-dimethoxyphenyl)-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 110241136
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110197197
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 17491736
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 91918435) is (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is COCc1nc(C2CCCN(C(=O)c3ccc(OC)cc3OC)C2)no1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is YIKOTPYSTBFVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-23-11-16-19-17(20-26-16)12-5-4-8-21(10-12)18(22)14-7-6-13(24-2)9-15(14)25-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 361.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).