(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one

C17H22N2O2 — CID 95351095

IUPAC(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)N1
InChIInChI=1S/C17H22N2O2/c20-16-10-9-15(18-16)17(21)19-11-5-4-8-14(19)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,20)/t14-,15+/m0/s1
InChIKeyKQYWAEFXHDDWIH-LSDHHAIUSA-N
MW286.37 g/mol
LogP1.89
Rot. Bonds3

About (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95351095) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95351095
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)N1
InChIInChI=1S/C17H22N2O2/c20-16-10-9-15(18-16)17(21)19-11-5-4-8-14(19)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,20)/t14-,15+/m0/s1
InChIKeyKQYWAEFXHDDWIH-LSDHHAIUSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclo(L-leucyl-L-phenylalanyl)
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(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
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Leucyl-phenylalanine amide
CID 3082491
(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
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cyclo[Asu(NHOH)(NHOH)-Phe-Phe-D-Pro]
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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 95351095) is (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)N1.
What is the InChIKey of (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KQYWAEFXHDDWIH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-10-9-15(18-16)17(21)19-11-5-4-8-14(19)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95351095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).