1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one

C17H24N2O2 — CID 164696726

IUPAC1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H24N2O2/c20-16-13-18(11-12-19-9-4-7-17(19)21)10-8-15(16)14-5-2-1-3-6-14/h1-3,5-6,15-16,20H,4,7-13H2/t15-,16+/m0/s1
InChIKeyNZBSDYAUPSAZQP-JKSUJKDBSA-N
MW288.39 g/mol
LogP1.46
Rot. Bonds4

About 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 164696726) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID164696726
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H24N2O2/c20-16-13-18(11-12-19-9-4-7-17(19)21)10-8-15(16)14-5-2-1-3-6-14/h1-3,5-6,15-16,20H,4,7-13H2/t15-,16+/m0/s1
InChIKeyNZBSDYAUPSAZQP-JKSUJKDBSA-N
XLogP1.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one
CID 155500531
3-[2-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 162636183
(3aS,6R,7aS)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-phenyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 164636458
N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
CID 154898599
(3S,4S)-3-benzyl-4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxylic acid;formic acid
CID 154916066
(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97205793
1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
CID 163306632
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 111114050
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95592054
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one (CID 164696726) is 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CC[C@@H](c2ccccc2)[C@H](O)C1.
What is the InChIKey of 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is NZBSDYAUPSAZQP-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-13-18(11-12-19-9-4-7-17(19)21)10-8-15(16)14-5-2-1-3-6-14/h1-3,5-6,15-16,20H,4,7-13H2/t15-,16+/m0/s1.
What are the key properties of 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 164696726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).