1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one

C25H28N2O3 — CID 53326457

IUPAC1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCCCC1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C25H28N2O3/c1-26-15-6-5-9-22(26)19-30-23-12-10-21(11-13-23)27-16-14-24(17-25(27)28)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-14,16-17,22H,5-6,9,15,18-19H2,1H3
InChIKeyKTNRAOBLSVMKID-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.28
Rot. Bonds7

About 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53326457) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53326457
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCCCC1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C25H28N2O3/c1-26-15-6-5-9-22(26)19-30-23-12-10-21(11-13-23)27-16-14-24(17-25(27)28)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-14,16-17,22H,5-6,9,15,18-19H2,1H3
InChIKeyKTNRAOBLSVMKID-UHFFFAOYSA-N
XLogP4.28
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 53326457) is 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one is CN1CCCCC1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is KTNRAOBLSVMKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-26-15-6-5-9-22(26)19-30-23-12-10-21(11-13-23)27-16-14-24(17-25(27)28)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-14,16-17,22H,5-6,9,15,18-19H2,1H3.
What are the key properties of 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 404.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpiperidin-2-yl)methoxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53326457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).