(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide

C20H26BrN3O3 — CID 1037096

IUPAC(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1
InChIInChI=1S/C20H26BrN3O3/c1-3-22(4-2)19(26)14-6-5-11-23(13-14)17-12-18(25)24(20(17)27)16-9-7-15(21)8-10-16/h7-10,14,17H,3-6,11-13H2,1-2H3/t14-,17-/m1/s1
InChIKeyMYIJCHMIRGSJHK-RHSMWYFYSA-N
MW436.35 g/mol
LogP2.66
Rot. Bonds5

About (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide

(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 1037096) has the molecular formula C20H26BrN3O3 and a molecular weight of 436.35 g/mol. Its IUPAC name is (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID1037096
Molecular FormulaC20H26BrN3O3
Molecular Weight436.35 g/mol
Exact Mass435.12
IUPAC Name(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1
InChIInChI=1S/C20H26BrN3O3/c1-3-22(4-2)19(26)14-6-5-11-23(13-14)17-12-18(25)24(20(17)27)16-9-7-15(21)8-10-16/h7-10,14,17H,3-6,11-13H2,1-2H3/t14-,17-/m1/s1
InChIKeyMYIJCHMIRGSJHK-RHSMWYFYSA-N
XLogP2.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide (CID 1037096) is (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1.
What is the InChIKey of (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is MYIJCHMIRGSJHK-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H26BrN3O3/c1-3-22(4-2)19(26)14-6-5-11-23(13-14)17-12-18(25)24(20(17)27)16-9-7-15(21)8-10-16/h7-10,14,17H,3-6,11-13H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide?
(3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 436.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 1037096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).