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

C23H26N4O3 — CID 25127171

IUPAC[2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CC(COc3ncccc3C)CCC2C)n1
InChIInChI=1S/C23H26N4O3/c1-15-7-6-12-24-21(15)29-14-18-11-10-16(2)27(13-18)23(28)20-9-5-4-8-19(20)22-25-17(3)26-30-22/h4-9,12,16,18H,10-11,13-14H2,1-3H3
InChIKeyPRMMHHDEYHWXHN-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.07
Rot. Bonds5

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

[2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 25127171) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID25127171
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name[2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CC(COc3ncccc3C)CCC2C)n1
InChIInChI=1S/C23H26N4O3/c1-15-7-6-12-24-21(15)29-14-18-11-10-16(2)27(13-18)23(28)20-9-5-4-8-19(20)22-25-17(3)26-30-22/h4-9,12,16,18H,10-11,13-14H2,1-3H3
InChIKeyPRMMHHDEYHWXHN-UHFFFAOYSA-N
XLogP4.07
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 25127171) is [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccccc2C(=O)N2CC(COc3ncccc3C)CCC2C)n1.
What is the InChIKey of [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is PRMMHHDEYHWXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-7-6-12-24-21(15)29-14-18-11-10-16(2)27(13-18)23(28)20-9-5-4-8-19(20)22-25-17(3)26-30-22/h4-9,12,16,18H,10-11,13-14H2,1-3H3.
What are the key properties of [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 406.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 25127171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).