(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

C22H28FN3O3 — CID 7332701

IUPAC(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCC1CCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1
InChIInChI=1S/C22H28FN3O3/c1-15-6-10-25(11-7-15)21(28)16-8-12-24(13-9-16)19-14-20(27)26(22(19)29)18-4-2-17(23)3-5-18/h2-5,15-16,19H,6-14H2,1H3/t19-/m1/s1
InChIKeyRXGXCHIHTMDLJS-LJQANCHMSA-N
MW401.48 g/mol
LogP2.43
Rot. Bonds3

About (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 7332701) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID7332701
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCC1CCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1
InChIInChI=1S/C22H28FN3O3/c1-15-6-10-25(11-7-15)21(28)16-8-12-24(13-9-16)19-14-20(27)26(22(19)29)18-4-2-17(23)3-5-18/h2-5,15-16,19H,6-14H2,1H3/t19-/m1/s1
InChIKeyRXGXCHIHTMDLJS-LJQANCHMSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 43826833
(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 1034992
(3S)-1-(3-chlorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 1258867
(3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332545
3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2853851
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
1-[(3R)-1-(4-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 871176
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
(3S)-1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7326000
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 7332701) is (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is CC1CCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is RXGXCHIHTMDLJS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-15-6-10-25(11-7-15)21(28)16-8-12-24(13-9-16)19-14-20(27)26(22(19)29)18-4-2-17(23)3-5-18/h2-5,15-16,19H,6-14H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 401.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7332701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).