(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one

C24H30N2O2 — CID 146175588

IUPAC(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
SMILESCC[C@@H](c1ccccc1)N1CC[C@H](N2CCC(c3ccc(O)cc3)CC2)C1=O
InChIInChI=1S/C24H30N2O2/c1-2-22(20-6-4-3-5-7-20)26-17-14-23(24(26)28)25-15-12-19(13-16-25)18-8-10-21(27)11-9-18/h3-11,19,22-23,27H,2,12-17H2,1H3/t22-,23-/m0/s1
InChIKeyABHPESQPVQVPME-GOTSBHOMSA-N
MW378.52 g/mol
LogP4.32
Rot. Bonds5

About (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one

(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one (PubChem CID 146175588) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
PubChem CID146175588
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
SMILESCC[C@@H](c1ccccc1)N1CC[C@H](N2CCC(c3ccc(O)cc3)CC2)C1=O
InChIInChI=1S/C24H30N2O2/c1-2-22(20-6-4-3-5-7-20)26-17-14-23(24(26)28)25-15-12-19(13-16-25)18-8-10-21(27)11-9-18/h3-11,19,22-23,27H,2,12-17H2,1H3/t22-,23-/m0/s1
InChIKeyABHPESQPVQVPME-GOTSBHOMSA-N
XLogP4.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 146175578
3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one
CID 86959079
2-(1-phenylpropyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79923579
4-[1-(2-phenylpyrrolidin-1-yl)propyl]phenol
CID 82959518
4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 78834618
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358164
ethane;1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 144885855
4-(1-ethylsulfonylpiperidin-4-yl)phenol
CID 54861048
3-[(3S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 118225552
(3S)-3-[3-(4-hydroxyphenyl)azetidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207585
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118207458

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one (CID 146175588) is (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one is CC[C@@H](c1ccccc1)N1CC[C@H](N2CCC(c3ccc(O)cc3)CC2)C1=O.
What is the InChIKey of (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The InChIKey is ABHPESQPVQVPME-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-22(20-6-4-3-5-7-20)26-17-14-23(24(26)28)25-15-12-19(13-16-25)18-8-10-21(27)11-9-18/h3-11,19,22-23,27H,2,12-17H2,1H3/t22-,23-/m0/s1.
What are the key properties of (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
(3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 146175588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).