(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C30H33N3O3 — CID 42480761

IUPAC(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@](CCC(=O)N2CCC(O)(c3ccccn3)CC2)(Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C30H33N3O3/c34-27-13-15-29(32-27,22-23-9-11-25(12-10-23)24-6-2-1-3-7-24)16-14-28(35)33-20-17-30(36,18-21-33)26-8-4-5-19-31-26/h1-12,19,36H,13-18,20-22H2,(H,32,34)/t29-/m1/s1
InChIKeyXMRZKGRQSRMLIF-GDLZYMKVSA-N
MW483.61 g/mol
LogP4.23
Rot. Bonds7

About (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 42480761) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID42480761
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@](CCC(=O)N2CCC(O)(c3ccccn3)CC2)(Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C30H33N3O3/c34-27-13-15-29(32-27,22-23-9-11-25(12-10-23)24-6-2-1-3-7-24)16-14-28(35)33-20-17-30(36,18-21-33)26-8-4-5-19-31-26/h1-12,19,36H,13-18,20-22H2,(H,32,34)/t29-/m1/s1
InChIKeyXMRZKGRQSRMLIF-GDLZYMKVSA-N
XLogP4.23
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42212296
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42501402
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 45228364
5-benzyl-5-[3-[4-(2-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45250215
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 42471156
5-[(4-fluorophenyl)methyl]-5-[3-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45181644
5-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 45226329
5-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 45188730
(5S)-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 125176594
(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 42238090
5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45220106

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 42480761) is (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is O=C1CC[C@@](CCC(=O)N2CCC(O)(c3ccccn3)CC2)(Cc2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is XMRZKGRQSRMLIF-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H33N3O3/c34-27-13-15-29(32-27,22-23-9-11-25(12-10-23)24-6-2-1-3-7-24)16-14-28(35)33-20-17-30(36,18-21-33)26-8-4-5-19-31-26/h1-12,19,36H,13-18,20-22H2,(H,32,34)/t29-/m1/s1.
What are the key properties of (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 483.61 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 42480761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).