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

C23H30N4O5 — CID 55886208

IUPAC[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC(c4nc(C)no4)C3)CC2)c1
InChIInChI=1S/C23H30N4O5/c1-15-24-21(32-25-15)17-5-4-8-27(14-17)22(28)16-6-9-26(10-7-16)23(29)18-11-19(30-2)13-20(12-18)31-3/h11-13,16-17H,4-10,14H2,1-3H3
InChIKeyWOASHZUHEJTFQL-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.65
Rot. Bonds5

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

[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 55886208) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID55886208
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC(c4nc(C)no4)C3)CC2)c1
InChIInChI=1S/C23H30N4O5/c1-15-24-21(32-25-15)17-5-4-8-27(14-17)22(28)16-6-9-26(10-7-16)23(29)18-11-19(30-2)13-20(12-18)31-3/h11-13,16-17H,4-10,14H2,1-3H3
InChIKeyWOASHZUHEJTFQL-UHFFFAOYSA-N
XLogP2.65
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456031
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 42760479
(3-methoxy-4-methylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346818
(3-methoxy-4-methylphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346819
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
(3-bromo-5-methoxy-4-propoxyphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55884501
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346800
(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526596

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 55886208) is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCC(c4nc(C)no4)C3)CC2)c1.
What is the InChIKey of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WOASHZUHEJTFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-15-24-21(32-25-15)17-5-4-8-27(14-17)22(28)16-6-9-26(10-7-16)23(29)18-11-19(30-2)13-20(12-18)31-3/h11-13,16-17H,4-10,14H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55886208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).