(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione

C18H24N2O2 — CID 3063422

IUPAC(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@](CCN2CCCCC2)(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2/c1-19-16(21)14-18(17(19)22,15-8-4-2-5-9-15)10-13-20-11-6-3-7-12-20/h2,4-5,8-9H,3,6-7,10-14H2,1H3/t18-/m1/s1
InChIKeyHADHVZWLLCJZBF-GOSISDBHSA-N
MW300.40 g/mol
LogP2.19
Rot. Bonds4

About (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione

(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione (PubChem CID 3063422) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
PubChem CID3063422
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)C[C@](CCN2CCCCC2)(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2/c1-19-16(21)14-18(17(19)22,15-8-4-2-5-9-15)10-13-20-11-6-3-7-12-20/h2,4-5,8-9H,3,6-7,10-14H2,1H3/t18-/m1/s1
InChIKeyHADHVZWLLCJZBF-GOSISDBHSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356398
(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
6-methoxy-4-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
CID 22767307
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
4-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]-1,4-diazepane-1-carbaldehyde
CID 45215839
(3R)-1-methyl-3-[2-[(3S)-3-(3-methylbutanoyl)piperidin-1-yl]-2-oxoethyl]-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42168052
4-phenyl-4-(3-piperidin-1-ylpropyl)-2,3-dihydroisoquinolin-1-one
CID 22767232
N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
CID 42436101
ethyl 4-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45239394
1,3-dimethyl-3-phenylpiperidine-2,6-dione
CID 13260886
(3R)-3-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1-methyl-3-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 42365792
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
CID 125163774

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione (CID 3063422) is (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione is CN1C(=O)C[C@](CCN2CCCCC2)(c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is HADHVZWLLCJZBF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-16(21)14-18(17(19)22,15-8-4-2-5-9-15)10-13-20-11-6-3-7-12-20/h2,4-5,8-9H,3,6-7,10-14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3063422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).