(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one

C26H30N2O3 — CID 42238090

IUPAC(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
SMILESO=C1CC[C@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1
InChIInChI=1S/C26H30N2O3/c29-23-13-15-26(27-23,18-20-8-3-1-4-9-20)16-14-24(30)28-17-7-12-22(19-28)25(31)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,27,29)/t22-,26-/m0/s1
InChIKeyOUMLVUOPIHMDGG-NVQXNPDNSA-N
MW418.54 g/mol
LogP3.78
Rot. Bonds7

About (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one

(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one (PubChem CID 42238090) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
PubChem CID42238090
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
SMILESO=C1CC[C@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1
InChIInChI=1S/C26H30N2O3/c29-23-13-15-26(27-23,18-20-8-3-1-4-9-20)16-14-24(30)28-17-7-12-22(19-28)25(31)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,27,29)/t22-,26-/m0/s1
InChIKeyOUMLVUOPIHMDGG-NVQXNPDNSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 45188730
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-oxo-3-[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 25306534
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860
(5R)-5-[3-oxo-3-[(3R)-3-phenylmethoxypiperidin-1-yl]propyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 26333819
(5S)-5-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42372930
ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
CID 42472892
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42212296
5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 45176353
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
5-benzyl-5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidin-2-one
CID 118756315
(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42406236
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one (CID 42238090) is (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one is O=C1CC[C@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1.
What is the InChIKey of (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one?
The InChIKey is OUMLVUOPIHMDGG-NVQXNPDNSA-N. The full InChI is InChI=1S/C26H30N2O3/c29-23-13-15-26(27-23,18-20-8-3-1-4-9-20)16-14-24(30)28-17-7-12-22(19-28)25(31)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,27,29)/t22-,26-/m0/s1.
What are the key properties of (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one?
(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one is sourced from PubChem (CID 42238090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).