4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one

C24H29N3O2 — CID 72838828

IUPAC4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one
SMILESO=C1CN(CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CCN1
InChIInChI=1S/C24H29N3O2/c28-22-18-26(17-14-25-22)15-7-16-27-19-24(13-12-23(27)29,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,25,28)
InChIKeyMNFOCFRQOHHGDT-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.42
Rot. Bonds6

About 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one

4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one (PubChem CID 72838828) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one
PubChem CID72838828
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one
SMILESO=C1CN(CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CCN1
InChIInChI=1S/C24H29N3O2/c28-22-18-26(17-14-25-22)15-7-16-27-19-24(13-12-23(27)29,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,25,28)
InChIKeyMNFOCFRQOHHGDT-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5,5-diphenylpiperidin-2-one
CID 72938198
1-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-5,5-diphenylpiperidin-2-one
CID 97113843
4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
CID 95218993
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-[(1-methylcyclopropyl)methyl]piperazin-2-one
CID 130831729
1-[(2S)-3-ethoxy-2-hydroxypropyl]-5,5-diphenylpiperidin-2-one
CID 97130378
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]piperazin-2-one
CID 59019942
4-[3-(4-aminophenoxy)propyl]piperazin-2-one
CID 43365531
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one?
The IUPAC name of 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one (CID 72838828) is 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one?
The canonical SMILES for 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one is O=C1CN(CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CCN1.
What is the InChIKey of 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one?
The InChIKey is MNFOCFRQOHHGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22-18-26(17-14-25-22)15-7-16-27-19-24(13-12-23(27)29,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,25,28).
What are the key properties of 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one?
4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one has a molecular weight of 391.52 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxo-5,5-diphenylpiperidin-1-yl)propyl]piperazin-2-one is sourced from PubChem (CID 72838828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).