1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one

C14H19N3O — CID 67060816

IUPAC1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCCN1N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C14H19N3O/c18-14-7-4-9-17(14)16-10-8-15-11-13(16)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m1/s1
InChIKeyZVICJMCODKDJNO-CYBMUJFWSA-N
MW245.33 g/mol
LogP1.17
Rot. Bonds2

About 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one

1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one (PubChem CID 67060816) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one
PubChem CID67060816
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCCN1N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C14H19N3O/c18-14-7-4-9-17(14)16-10-8-15-11-13(16)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m1/s1
InChIKeyZVICJMCODKDJNO-CYBMUJFWSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one (CID 67060816) is 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one is O=C1CCCN1N1CCNC[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one?
The InChIKey is ZVICJMCODKDJNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-7-4-9-17(14)16-10-8-15-11-13(16)12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-/m1/s1.
What are the key properties of 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one?
1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 67060816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).