[3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone

C26H28N2O3 — CID 18950570

IUPAC[3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2cnccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H28N2O3/c1-30-21-10-6-19(7-11-21)25(20-8-12-22(31-2)13-9-20)24-18-27-15-14-23(24)26(29)28-16-4-3-5-17-28/h6-15,18,25H,3-5,16-17H2,1-2H3
InChIKeyMBGLRKHQMXGEIR-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.91
Rot. Bonds6

About [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone

[3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 18950570) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID18950570
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2cnccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H28N2O3/c1-30-21-10-6-19(7-11-21)25(20-8-12-22(31-2)13-9-20)24-18-27-15-14-23(24)26(29)28-16-4-3-5-17-28/h6-15,18,25H,3-5,16-17H2,1-2H3
InChIKeyMBGLRKHQMXGEIR-UHFFFAOYSA-N
XLogP4.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone (CID 18950570) is [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone is COc1ccc(C(c2ccc(OC)cc2)c2cnccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MBGLRKHQMXGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-30-21-10-6-19(7-11-21)25(20-8-12-22(31-2)13-9-20)24-18-27-15-14-23(24)26(29)28-16-4-3-5-17-28/h6-15,18,25H,3-5,16-17H2,1-2H3.
What are the key properties of [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone?
[3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 416.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 18950570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).