1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one

C19H26N2O3 — CID 110025342

IUPAC1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
SMILESCC(O)(CC(=O)N1CCCC(N2CCCC2=O)C1)c1ccccc1
InChIInChI=1S/C19H26N2O3/c1-19(24,15-7-3-2-4-8-15)13-18(23)20-11-5-9-16(14-20)21-12-6-10-17(21)22/h2-4,7-8,16,24H,5-6,9-14H2,1H3
InChIKeyIITFVTVUYLOUEZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.90
Rot. Bonds4

About 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one

1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 110025342) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID110025342
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one
SMILESCC(O)(CC(=O)N1CCCC(N2CCCC2=O)C1)c1ccccc1
InChIInChI=1S/C19H26N2O3/c1-19(24,15-7-3-2-4-8-15)13-18(23)20-11-5-9-16(14-20)21-12-6-10-17(21)22/h2-4,7-8,16,24H,5-6,9-14H2,1H3
InChIKeyIITFVTVUYLOUEZ-UHFFFAOYSA-N
XLogP1.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380
1-(3-benzylpyrrolidin-1-yl)-3-hydroxy-3-phenylbutan-1-one
CID 110025511
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
1-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyrrolidin-2-one
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1-[(3S)-1-[(E)-3-(2-methylphenyl)but-2-enoyl]piperidin-3-yl]pyrrolidin-2-one
CID 98524916
1-[1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrrolidin-2-one
CID 77091056
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765233
1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one
CID 97235238
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
CID 86782293
2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid
CID 82856116

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one (CID 110025342) is 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one is CC(O)(CC(=O)N1CCCC(N2CCCC2=O)C1)c1ccccc1.
What is the InChIKey of 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is IITFVTVUYLOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(24,15-7-3-2-4-8-15)13-18(23)20-11-5-9-16(14-20)21-12-6-10-17(21)22/h2-4,7-8,16,24H,5-6,9-14H2,1H3.
What are the key properties of 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one?
1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxy-3-phenylbutanoyl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 110025342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).