1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

C25H30N2O3 — CID 42393004

IUPAC1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@](CO)(CCc2ccccc2)C1
InChIInChI=1S/C25H30N2O3/c28-19-25(15-13-20-6-2-1-3-7-20)14-5-16-26(18-25)24(30)21-9-11-22(12-10-21)27-17-4-8-23(27)29/h1-3,6-7,9-12,28H,4-5,8,13-19H2/t25-/m0/s1
InChIKeyYAVRKJAAPSAXDB-VWLOTQADSA-N
MW406.53 g/mol
LogP3.66
Rot. Bonds6

About 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 42393004) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID42393004
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@](CO)(CCc2ccccc2)C1
InChIInChI=1S/C25H30N2O3/c28-19-25(15-13-20-6-2-1-3-7-20)14-5-16-26(18-25)24(30)21-9-11-22(12-10-21)27-17-4-8-23(27)29/h1-3,6-7,9-12,28H,4-5,8,13-19H2/t25-/m0/s1
InChIKeyYAVRKJAAPSAXDB-VWLOTQADSA-N
XLogP3.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 45180792
1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 25479654
1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7964634
[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25305670
[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 45195130
(1R,5S)-3-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135109292
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 45220389
1-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 25303247
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 42393004) is 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@](CO)(CCc2ccccc2)C1.
What is the InChIKey of 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is YAVRKJAAPSAXDB-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-19-25(15-13-20-6-2-1-3-7-20)14-5-16-26(18-25)24(30)21-9-11-22(12-10-21)27-17-4-8-23(27)29/h1-3,6-7,9-12,28H,4-5,8,13-19H2/t25-/m0/s1.
What are the key properties of 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 42393004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).