1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C20H28N2O3 — CID 70784494

IUPAC1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-18(15-17-5-2-1-3-6-17)20(25)22-13-9-16(10-14-22)8-12-21-11-4-7-19(21)24/h1-3,5-6,16,18,23H,4,7-15H2/t18-/m0/s1
InChIKeyAOQQCYIQVWJVOZ-SFHVURJKSA-N
MW344.45 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70784494) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70784494
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-18(15-17-5-2-1-3-6-17)20(25)22-13-9-16(10-14-22)8-12-21-11-4-7-19(21)24/h1-3,5-6,16,18,23H,4,7-15H2/t18-/m0/s1
InChIKeyAOQQCYIQVWJVOZ-SFHVURJKSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70784494) is 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is AOQQCYIQVWJVOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18(15-17-5-2-1-3-6-17)20(25)22-13-9-16(10-14-22)8-12-21-11-4-7-19(21)24/h1-3,5-6,16,18,23H,4,7-15H2/t18-/m0/s1.
What are the key properties of 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70784494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).