[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

C25H33N3O3 — CID 42240600

IUPAC[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCOCC1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C25H33N3O3/c1-30-19-20-9-16-28(17-10-20)25(29)23-7-2-3-8-24(23)31-22-11-14-27(15-12-22)18-21-6-4-5-13-26-21/h2-8,13,20,22H,9-12,14-19H2,1H3
InChIKeyUCWHIOKPHBQJBD-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.62
Rot. Bonds7

About [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 42240600) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID42240600
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCOCC1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C25H33N3O3/c1-30-19-20-9-16-28(17-10-20)25(29)23-7-2-3-8-24(23)31-22-11-14-27(15-12-22)18-21-6-4-5-13-26-21/h2-8,13,20,22H,9-12,14-19H2,1H3
InChIKeyUCWHIOKPHBQJBD-UHFFFAOYSA-N
XLogP3.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42291359
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 24791385
[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42123110
piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 26395074
N-[(2-methylphenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42567850
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25274515
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone;dihydrochloride
CID 154900317
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42291142
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (CID 42240600) is [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is COCC1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is UCWHIOKPHBQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-30-19-20-9-16-28(17-10-20)25(29)23-7-2-3-8-24(23)31-22-11-14-27(15-12-22)18-21-6-4-5-13-26-21/h2-8,13,20,22H,9-12,14-19H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 423.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 42240600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).