(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

5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43572839
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550
(5S)-5-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrrolidin-2-one
CID 97248620
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94885599
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251
(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250

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).