1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

C29H32N2O4 — CID 73357262

IUPAC1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H32N2O4/c32-25(21-30-17-19-31(20-18-30)29(34)24-11-5-2-6-12-24)22-35-28-14-8-7-13-26(28)27(33)16-15-23-9-3-1-4-10-23/h1-14,25,32H,15-22H2/t25-/m1/s1
InChIKeyJDHYTLQRORSYBS-RUZDIDTESA-N
MW472.59 g/mol
LogP3.70
Rot. Bonds10

About 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 73357262) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
PubChem CID73357262
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H32N2O4/c32-25(21-30-17-19-31(20-18-30)29(34)24-11-5-2-6-12-24)22-35-28-14-8-7-13-26(28)27(33)16-15-23-9-3-1-4-10-23/h1-14,25,32H,15-22H2/t25-/m1/s1
InChIKeyJDHYTLQRORSYBS-RUZDIDTESA-N
XLogP3.70
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (CID 73357262) is 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is JDHYTLQRORSYBS-RUZDIDTESA-N. The full InChI is InChI=1S/C29H32N2O4/c32-25(21-30-17-19-31(20-18-30)29(34)24-11-5-2-6-12-24)22-35-28-14-8-7-13-26(28)27(33)16-15-23-9-3-1-4-10-23/h1-14,25,32H,15-22H2/t25-/m1/s1.
What are the key properties of 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 472.59 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 73357262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).