1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one

C19H26N2O2 — CID 42216671

IUPAC1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C19H26N2O2/c22-18-9-5-13-21(18)15-19(23)20-12-4-8-17(14-20)11-10-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2/t17-/m1/s1
InChIKeyRZXSPZFACHLOHE-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 42216671) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID42216671
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C19H26N2O2/c22-18-9-5-13-21(18)15-19(23)20-12-4-8-17(14-20)11-10-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2/t17-/m1/s1
InChIKeyRZXSPZFACHLOHE-QGZVFWFLSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 25477580
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
3-[2-oxo-2-[3-(2-phenylethyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45215381
1-[2-oxo-2-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 45218870
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
1-[3-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 26328870
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124947043
1-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127246420
3-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 42190908
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 42216671) is 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccccc2)C1.
What is the InChIKey of 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is RZXSPZFACHLOHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18-9-5-13-21(18)15-19(23)20-12-4-8-17(14-20)11-10-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2/t17-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 42216671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).