3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one

C16H20N2O3 — CID 118570550

IUPAC3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(N1CCCCC1)C1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c19-14(17-10-5-2-6-11-17)16(21)9-12-18(15(16)20)13-7-3-1-4-8-13/h1,3-4,7-8,21H,2,5-6,9-12H2
InChIKeyPOFCVCKVWHNLTN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.17
Rot. Bonds2

About 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one

3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 118570550) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID118570550
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(N1CCCCC1)C1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O3/c19-14(17-10-5-2-6-11-17)16(21)9-12-18(15(16)20)13-7-3-1-4-8-13/h1,3-4,7-8,21H,2,5-6,9-12H2
InChIKeyPOFCVCKVWHNLTN-UHFFFAOYSA-N
XLogP1.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 118570617
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
CID 102522511
(3S)-N-[(3-bromophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56951192
(3S)-3-hydroxy-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960811
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
(3S)-3-hydroxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959522
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one (CID 118570550) is 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one is O=C(N1CCCCC1)C1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is POFCVCKVWHNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(17-10-5-2-6-11-17)16(21)9-12-18(15(16)20)13-7-3-1-4-8-13/h1,3-4,7-8,21H,2,5-6,9-12H2.
What are the key properties of 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one?
3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 118570550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).