1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one

C27H32N2O2 — CID 58252392

IUPAC1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CCCC2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C27H32N2O2/c30-26-25(16-19-29(27(26)31)21-24-10-5-2-6-11-24)13-7-12-22-14-17-28(18-15-22)20-23-8-3-1-4-9-23/h1-6,8-11,16,19,22,30H,7,12-15,17-18,20-21H2
InChIKeyGOFDBYPENOZNTP-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.84
Rot. Bonds8

About 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one

1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one (PubChem CID 58252392) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one
PubChem CID58252392
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CCCC2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C27H32N2O2/c30-26-25(16-19-29(27(26)31)21-24-10-5-2-6-11-24)13-7-12-22-14-17-28(18-15-22)20-23-8-3-1-4-9-23/h1-6,8-11,16,19,22,30H,7,12-15,17-18,20-21H2
InChIKeyGOFDBYPENOZNTP-UHFFFAOYSA-N
XLogP4.84
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one?
The IUPAC name of 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one (CID 58252392) is 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one?
The canonical SMILES for 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one is O=c1c(O)c(CCCC2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one?
The InChIKey is GOFDBYPENOZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-26-25(16-19-29(27(26)31)21-24-10-5-2-6-11-24)13-7-12-22-14-17-28(18-15-22)20-23-8-3-1-4-9-23/h1-6,8-11,16,19,22,30H,7,12-15,17-18,20-21H2.
What are the key properties of 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one?
1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one has a molecular weight of 416.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one is sourced from PubChem (CID 58252392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).