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

C20H25N3O4 — CID 90641486

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-25-16-8-7-15(11-17(16)26-2)20(24)23-9-3-4-13(12-23)10-18-21-19(22-27-18)14-5-6-14/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyKJDAIBWKZYATLU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.06
Rot. Bonds6

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

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 90641486) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID90641486
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-25-16-8-7-15(11-17(16)26-2)20(24)23-9-3-4-13(12-23)10-18-21-19(22-27-18)14-5-6-14/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyKJDAIBWKZYATLU-UHFFFAOYSA-N
XLogP3.06
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 86265842
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992556
3-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-8-methoxychromen-2-one
CID 90641579
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90641504
4-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 99992702
(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918934
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 86265873
(4-bromothiophen-2-yl)-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992933

Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 90641486) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC(Cc3nc(C4CC4)no3)C2)cc1OC.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is KJDAIBWKZYATLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-16-8-7-15(11-17(16)26-2)20(24)23-9-3-4-13(12-23)10-18-21-19(22-27-18)14-5-6-14/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3.
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 371.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 90641486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).