1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one

C17H25N3O2 — CID 3035813

IUPAC1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c21-16(14-20-8-4-7-17(20)22)13-18-9-11-19(12-10-18)15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2
InChIKeyAFBKGQPVUQUMRC-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.79
Rot. Bonds5

About 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one

1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 3035813) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one
PubChem CID3035813
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c21-16(14-20-8-4-7-17(20)22)13-18-9-11-19(12-10-18)15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2
InChIKeyAFBKGQPVUQUMRC-UHFFFAOYSA-N
XLogP0.79
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one (CID 3035813) is 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is AFBKGQPVUQUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16(14-20-8-4-7-17(20)22)13-18-9-11-19(12-10-18)15-5-2-1-3-6-15/h1-3,5-6,16,21H,4,7-14H2.
What are the key properties of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 3035813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).