1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one

C20H28N2O3 — CID 26328595

IUPAC1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-19-11-4-5-12-21(19)16-20(24)22-13-14-25-18(15-22)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2/t18-/m0/s1
InChIKeyWYXNWPHLIIGDDG-SFHVURJKSA-N
MW344.45 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one

1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one (PubChem CID 26328595) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one
PubChem CID26328595
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-19-11-4-5-12-21(19)16-20(24)22-13-14-25-18(15-22)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2/t18-/m0/s1
InChIKeyWYXNWPHLIIGDDG-SFHVURJKSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one (CID 26328595) is 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one?
The InChIKey is WYXNWPHLIIGDDG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19-11-4-5-12-21(19)16-20(24)22-13-14-25-18(15-22)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2/t18-/m0/s1.
What are the key properties of 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one?
1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 26328595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).