1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one

C24H30N2O4 — CID 3061878

IUPAC1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(CN1CCN(CC(C)C(=O)c2ccc(O)cc2)CC1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C24H30N2O4/c1-17(23(29)19-3-7-21(27)8-4-19)15-25-11-13-26(14-12-25)16-18(2)24(30)20-5-9-22(28)10-6-20/h3-10,17-18,27-28H,11-16H2,1-2H3
InChIKeyLWIBISLXGFTOPY-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.05
Rot. Bonds8

About 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one

1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 3061878) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID3061878
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(CN1CCN(CC(C)C(=O)c2ccc(O)cc2)CC1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C24H30N2O4/c1-17(23(29)19-3-7-21(27)8-4-19)15-25-11-13-26(14-12-25)16-18(2)24(30)20-5-9-22(28)10-6-20/h3-10,17-18,27-28H,11-16H2,1-2H3
InChIKeyLWIBISLXGFTOPY-UHFFFAOYSA-N
XLogP3.05
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

Thalictroidine
CID 10489834
Propiophenone, 3-(4-benzylpiperidino)-4'-methoxy-, hydrochloride
CID 24843854
1-Propanone, 3-(dimethylamino)-1-(4-hydroxyphenyl)-, hydrochloride (1:1)
CID 200477
Tolperisone metabolite M1'
CID 10377983
N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
CID 22108195
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-hydroxyphenyl)butan-1-one
CID 127052458
1-Propanone, 3-(4-(2-(diethylamino)-2-(4-fluorophenyl)ethyl)-1-piperazinyl)-1-(4-hydroxyphenyl)-2-methyl-, ethanedioate (1:3)
CID 24843577
3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-1-phenylpropan-1-one
CID 9974341
3-[4-(3-Hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-1-phenyl-propan-1-one
CID 10042707
1-(3-Hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
CID 12741877
1-(4-Hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
CID 12741878
1-(4-Benzylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-2-one
CID 44309368

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one (CID 3061878) is 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one is CC(CN1CCN(CC(C)C(=O)c2ccc(O)cc2)CC1)C(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is LWIBISLXGFTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17(23(29)19-3-7-21(27)8-4-19)15-25-11-13-26(14-12-25)16-18(2)24(30)20-5-9-22(28)10-6-20/h3-10,17-18,27-28H,11-16H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one?
1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 410.51 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 3061878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).