1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one

C19H26N2O2 — CID 95776826

IUPAC1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCC[C@H](C(=O)N1CCC(c2ccccc2)CC1)N1CCCC1=O
InChIInChI=1S/C19H26N2O2/c1-2-17(21-12-6-9-18(21)22)19(23)20-13-10-16(11-14-20)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t17-/m1/s1
InChIKeyGMFBWXDVIWKYGY-QGZVFWFLSA-N
MW314.43 g/mol
LogP2.79
Rot. Bonds4

About 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one

1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one (PubChem CID 95776826) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
PubChem CID95776826
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCC[C@H](C(=O)N1CCC(c2ccccc2)CC1)N1CCCC1=O
InChIInChI=1S/C19H26N2O2/c1-2-17(21-12-6-9-18(21)22)19(23)20-13-10-16(11-14-20)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t17-/m1/s1
InChIKeyGMFBWXDVIWKYGY-QGZVFWFLSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119636602
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 166318295
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
1-[1-[4-(3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
CID 146114903
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
1-[(2S)-1-[4-[2-(dimethylamino)ethyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
CID 95784904
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
1-[(2R)-1-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-oxobutan-2-yl]pyrrolidin-2-one
CID 99801776

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one (CID 95776826) is 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one is CC[C@H](C(=O)N1CCC(c2ccccc2)CC1)N1CCCC1=O.
What is the InChIKey of 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The InChIKey is GMFBWXDVIWKYGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-17(21-12-6-9-18(21)22)19(23)20-13-10-16(11-14-20)15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one?
1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-oxo-1-(4-phenylpiperidin-1-yl)butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 95776826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).