1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one

C26H30N4O3 — CID 172517182

IUPAC1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
SMILESO=C1CCCCN1c1cc(N2CCCCC2=O)c(N2CCCCC2=O)cc1-c1cccnc1
InChIInChI=1S/C26H30N4O3/c31-24-9-1-4-13-28(24)21-17-23(30-15-6-3-11-26(30)33)22(29-14-5-2-10-25(29)32)16-20(21)19-8-7-12-27-18-19/h7-8,12,16-18H,1-6,9-11,13-15H2
InChIKeyBLZCMJFLOKKSBA-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.30
Rot. Bonds4

About 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one

1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one (PubChem CID 172517182) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
PubChem CID172517182
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
SMILESO=C1CCCCN1c1cc(N2CCCCC2=O)c(N2CCCCC2=O)cc1-c1cccnc1
InChIInChI=1S/C26H30N4O3/c31-24-9-1-4-13-28(24)21-17-23(30-15-6-3-11-26(30)33)22(29-14-5-2-10-25(29)32)16-20(21)19-8-7-12-27-18-19/h7-8,12,16-18H,1-6,9-11,13-15H2
InChIKeyBLZCMJFLOKKSBA-UHFFFAOYSA-N
XLogP4.30
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-6-pyridin-3-ylpyran-3-yl)piperidin-2-one
CID 67108584
1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
CID 159105946
1-[4,5-bis(2-oxoaziridin-1-yl)-2-pyridin-4-ylphenyl]aziridin-2-one
CID 172517236
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
CID 36841106
4-piperidin-1-yl-2-pyridin-3-ylaniline
CID 171118345
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
CID 58336742
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
1-[2-(hydroxymethyl)phenyl]piperidin-2-one
CID 100933154
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one?
The IUPAC name of 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one (CID 172517182) is 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one.
What is the SMILES notation for 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one?
The canonical SMILES for 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one is O=C1CCCCN1c1cc(N2CCCCC2=O)c(N2CCCCC2=O)cc1-c1cccnc1.
What is the InChIKey of 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one?
The InChIKey is BLZCMJFLOKKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-24-9-1-4-13-28(24)21-17-23(30-15-6-3-11-26(30)33)22(29-14-5-2-10-25(29)32)16-20(21)19-8-7-12-27-18-19/h7-8,12,16-18H,1-6,9-11,13-15H2.
What are the key properties of 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one?
1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one has a molecular weight of 446.55 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one is sourced from PubChem (CID 172517182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).