1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one

C37H38N2O3 — CID 57396816

IUPAC1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C37H38N2O3/c40-34(28-39-25-13-24-36(35(39)41,29-14-5-1-6-15-29)30-16-7-2-8-17-30)38-26-22-33(23-27-38)37(42,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21,33,42H,13,22-28H2
InChIKeyMXSQHCBWNCQTMM-UHFFFAOYSA-N
MW558.72 g/mol
LogP5.77
Rot. Bonds7

About 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one

1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one (PubChem CID 57396816) has the molecular formula C37H38N2O3 and a molecular weight of 558.72 g/mol. Its IUPAC name is 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one
PubChem CID57396816
Molecular FormulaC37H38N2O3
Molecular Weight558.72 g/mol
Exact Mass558.29
IUPAC Name1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C37H38N2O3/c40-34(28-39-25-13-24-36(35(39)41,29-14-5-1-6-15-29)30-16-7-2-8-17-30)38-26-22-33(23-27-38)37(42,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21,33,42H,13,22-28H2
InChIKeyMXSQHCBWNCQTMM-UHFFFAOYSA-N
XLogP5.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one with MolForge

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Related Compounds

Loperamide hydrochloride specified impurity D
CID 3705191
1-[2-(4,4-Diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
CID 57396817
1-[2-(3,3-Diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
CID 57403782
1-[2-(4-Benzhydrylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
CID 57402040
1-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 45485493
2-(3,4-Difluorophenyl)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
CID 6734380
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2,2-diphenyl-1-piperidin-1-ylbutan-1-one;hydrochloride
CID 161469117
4-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2,2-diphenyl-1-piperidin-1-ylbutan-1-one
CID 9807611
4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 18972309
1-Benzyl-4-[3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one
CID 20544170
1-{2-[4-(Hydroxy{bis[3-(trifluoromethyl)phenyl]}methyl)piperidin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
CID 45274307
1-[2-[4-[Bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
CID 67358055

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
The IUPAC name of 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one (CID 57396816) is 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
The canonical SMILES for 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one is O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
The InChIKey is MXSQHCBWNCQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O3/c40-34(28-39-25-13-24-36(35(39)41,29-14-5-1-6-15-29)30-16-7-2-8-17-30)38-26-22-33(23-27-38)37(42,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21,33,42H,13,22-28H2.
What are the key properties of 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one has a molecular weight of 558.72 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,3-diphenylpiperidin-2-one is sourced from PubChem (CID 57396816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).