1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C27H30N2O3 — CID 91759545

IUPAC1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C27H30N2O3/c1-21-16-23(18-28-13-6-3-7-14-28)10-11-25(21)26(30)19-29-15-12-24(17-27(29)31)32-20-22-8-4-2-5-9-22/h2,4-5,8-12,15-17H,3,6-7,13-14,18-20H2,1H3
InChIKeyNMDKJUIGDWXUQY-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.60
Rot. Bonds8

About 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 91759545) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID91759545
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C27H30N2O3/c1-21-16-23(18-28-13-6-3-7-14-28)10-11-25(21)26(30)19-29-15-12-24(17-27(29)31)32-20-22-8-4-2-5-9-22/h2,4-5,8-12,15-17H,3,6-7,13-14,18-20H2,1H3
InChIKeyNMDKJUIGDWXUQY-UHFFFAOYSA-N
XLogP4.60
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 91759545) is 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O.
What is the InChIKey of 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is NMDKJUIGDWXUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-21-16-23(18-28-13-6-3-7-14-28)10-11-25(21)26(30)19-29-15-12-24(17-27(29)31)32-20-22-8-4-2-5-9-22/h2,4-5,8-12,15-17H,3,6-7,13-14,18-20H2,1H3.
What are the key properties of 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 430.55 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 91759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).