(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione

C16H20N2O3 — CID 698856

IUPAC(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCC[C@@H](CO)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H20N2O3/c19-11-12-5-4-8-17(10-12)14-9-15(20)18(16(14)21)13-6-2-1-3-7-13/h1-3,6-7,12,14,19H,4-5,8-11H2/t12-,14-/m1/s1
InChIKeyPVCRKXOBTWKTQB-TZMCWYRMSA-N
MW288.35 g/mol
LogP1.02
Rot. Bonds3

About (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione

(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 698856) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID698856
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCC[C@@H](CO)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H20N2O3/c19-11-12-5-4-8-17(10-12)14-9-15(20)18(16(14)21)13-6-2-1-3-7-13/h1-3,6-7,12,14,19H,4-5,8-11H2/t12-,14-/m1/s1
InChIKeyPVCRKXOBTWKTQB-TZMCWYRMSA-N
XLogP1.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
(3S)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7376153
1-(4-phenylsulfanylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220406
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
ethyl (3R)-1-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 40975505
(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide
CID 1037096
2-[4-[3-(4-benzylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43861089
3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 2851208
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione (CID 698856) is (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione is O=C1C[C@@H](N2CCC[C@@H](CO)C2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is PVCRKXOBTWKTQB-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-11-12-5-4-8-17(10-12)14-9-15(20)18(16(14)21)13-6-2-1-3-7-13/h1-3,6-7,12,14,19H,4-5,8-11H2/t12-,14-/m1/s1.
What are the key properties of (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 698856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).