[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone

C25H26N2O3 — CID 172632452

IUPAC[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2ccccc2OCc2ccc(C(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C25H26N2O3/c1-29-24-14-13-21(17-26-24)22-7-3-4-8-23(22)30-18-19-9-11-20(12-10-19)25(28)27-15-5-2-6-16-27/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3
InChIKeyCNINILRYCOHCHM-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.96
Rot. Bonds6

About [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone

[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 172632452) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID172632452
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2ccccc2OCc2ccc(C(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C25H26N2O3/c1-29-24-14-13-21(17-26-24)22-7-3-4-8-23(22)30-18-19-9-11-20(12-10-19)25(28)27-15-5-2-6-16-27/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3
InChIKeyCNINILRYCOHCHM-UHFFFAOYSA-N
XLogP4.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone (CID 172632452) is [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone is COc1ccc(-c2ccccc2OCc2ccc(C(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is CNINILRYCOHCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-24-14-13-21(17-26-24)22-7-3-4-8-23(22)30-18-19-9-11-20(12-10-19)25(28)27-15-5-2-6-16-27/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3.
What are the key properties of [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 402.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 172632452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).