(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one

C34H34N2O2 — CID 51617866

IUPAC(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)N1CCN([C@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C34H34N2O2/c37-33(29-17-9-3-10-18-29)25-31(27-13-5-1-6-14-27)35-21-23-36(24-22-35)32(28-15-7-2-8-16-28)26-34(38)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2/t31-,32-/m1/s1
InChIKeyKCDOUMKACNPCRR-ROJLCIKYSA-N
MW502.66 g/mol
LogP6.63
Rot. Bonds10

About (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one

(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one (PubChem CID 51617866) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
PubChem CID51617866
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Name(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)N1CCN([C@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C34H34N2O2/c37-33(29-17-9-3-10-18-29)25-31(27-13-5-1-6-14-27)35-21-23-36(24-22-35)32(28-15-7-2-8-16-28)26-34(38)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2/t31-,32-/m1/s1
InChIKeyKCDOUMKACNPCRR-ROJLCIKYSA-N
XLogP6.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175347189
3-phenacyl-1,5-diphenylpentane-1,5-dione
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CID 63161254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one?
The IUPAC name of (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one (CID 51617866) is (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one?
The canonical SMILES for (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one is O=C(C[C@H](c1ccccc1)N1CCN([C@H](CC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one?
The InChIKey is KCDOUMKACNPCRR-ROJLCIKYSA-N. The full InChI is InChI=1S/C34H34N2O2/c37-33(29-17-9-3-10-18-29)25-31(27-13-5-1-6-14-27)35-21-23-36(24-22-35)32(28-15-7-2-8-16-28)26-34(38)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2/t31-,32-/m1/s1.
What are the key properties of (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one?
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one has a molecular weight of 502.66 g/mol, XLogP of 6.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one is sourced from PubChem (CID 51617866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).