N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C24H26BrN3O3 — CID 6497521

IUPACN-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4cccc(Br)c4)CC3)CC2=O)cc1
InChIInChI=1S/C24H26BrN3O3/c1-16-5-7-21(8-6-16)28-15-18(13-22(28)29)24(31)27-11-9-17(10-12-27)23(30)26-20-4-2-3-19(25)14-20/h2-8,14,17-18H,9-13,15H2,1H3,(H,26,30)
InChIKeyHSPYVUUGFMBWPB-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.99
Rot. Bonds4

About N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 6497521) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID6497521
Molecular FormulaC24H26BrN3O3
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC NameN-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4cccc(Br)c4)CC3)CC2=O)cc1
InChIInChI=1S/C24H26BrN3O3/c1-16-5-7-21(8-6-16)28-15-18(13-22(28)29)24(31)27-11-9-17(10-12-27)23(30)26-20-4-2-3-19(25)14-20/h2-8,14,17-18H,9-13,15H2,1H3,(H,26,30)
InChIKeyHSPYVUUGFMBWPB-UHFFFAOYSA-N
XLogP3.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 6497521) is N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is Cc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4cccc(Br)c4)CC3)CC2=O)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is HSPYVUUGFMBWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-16-5-7-21(8-6-16)28-15-18(13-22(28)29)24(31)27-11-9-17(10-12-27)23(30)26-20-4-2-3-19(25)14-20/h2-8,14,17-18H,9-13,15H2,1H3,(H,26,30).
What are the key properties of N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6497521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).