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

C25H33N3O3 — CID 24819503

IUPAC[2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCOCC1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-30-19-22-7-3-5-15-28(22)25(29)20-8-10-23(11-9-20)31-24-12-16-27(17-13-24)18-21-6-2-4-14-26-21/h2,4,6,8-11,14,22,24H,3,5,7,12-13,15-19H2,1H3
InChIKeyVQICNZOXRVIVQO-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.77
Rot. Bonds7

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

[2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 24819503) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID24819503
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name[2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCOCC1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-30-19-22-7-3-5-15-28(22)25(29)20-8-10-23(11-9-20)31-24-12-16-27(17-13-24)18-21-6-2-4-14-26-21/h2,4,6,8-11,14,22,24H,3,5,7,12-13,15-19H2,1H3
InChIKeyVQICNZOXRVIVQO-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (CID 24819503) is [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is COCC1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is VQICNZOXRVIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-30-19-22-7-3-5-15-28(22)25(29)20-8-10-23(11-9-20)31-24-12-16-27(17-13-24)18-21-6-2-4-14-26-21/h2,4,6,8-11,14,22,24H,3,5,7,12-13,15-19H2,1H3.
What are the key properties of [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
[2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 423.56 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 24819503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).