1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one

C28H34N2O3 — CID 25029069

IUPAC1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1cc(OCc2ccccc2)cc(=O)n1CCc1ccc(CN2CCC(C)(O)CC2)cc1
InChIInChI=1S/C28H34N2O3/c1-22-18-26(33-21-25-6-4-3-5-7-25)19-27(31)30(22)15-12-23-8-10-24(11-9-23)20-29-16-13-28(2,32)14-17-29/h3-11,18-19,32H,12-17,20-21H2,1-2H3
InChIKeyUTLBSRGHNFTDAP-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.33
Rot. Bonds8

About 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one

1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one (PubChem CID 25029069) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one
PubChem CID25029069
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1cc(OCc2ccccc2)cc(=O)n1CCc1ccc(CN2CCC(C)(O)CC2)cc1
InChIInChI=1S/C28H34N2O3/c1-22-18-26(33-21-25-6-4-3-5-7-25)19-27(31)30(22)15-12-23-8-10-24(11-9-23)20-29-16-13-28(2,32)14-17-29/h3-11,18-19,32H,12-17,20-21H2,1-2H3
InChIKeyUTLBSRGHNFTDAP-UHFFFAOYSA-N
XLogP4.33
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one (CID 25029069) is 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one is Cc1cc(OCc2ccccc2)cc(=O)n1CCc1ccc(CN2CCC(C)(O)CC2)cc1.
What is the InChIKey of 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one?
The InChIKey is UTLBSRGHNFTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-22-18-26(33-21-25-6-4-3-5-7-25)19-27(31)30(22)15-12-23-8-10-24(11-9-23)20-29-16-13-28(2,32)14-17-29/h3-11,18-19,32H,12-17,20-21H2,1-2H3.
What are the key properties of 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one?
1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one has a molecular weight of 446.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]ethyl]-6-methyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25029069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).