1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

C24H31N3O2 — CID 11144455

IUPAC1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-22(19-27-13-7-12-23(27)29)18-25-14-16-26(17-15-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22,24,28H,7,12-19H2
InChIKeyROWBICWJILXSDO-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.38
Rot. Bonds7

About 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 11144455) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID11144455
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-22(19-27-13-7-12-23(27)29)18-25-14-16-26(17-15-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22,24,28H,7,12-19H2
InChIKeyROWBICWJILXSDO-UHFFFAOYSA-N
XLogP2.38
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 11144455) is 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is ROWBICWJILXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-22(19-27-13-7-12-23(27)29)18-25-14-16-26(17-15-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22,24,28H,7,12-19H2.
What are the key properties of 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 393.53 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 11144455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).