N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide

C24H27BrN4O3 — CID 55788463

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCN(c3ccccc3Br)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C24H27BrN4O3/c25-20-8-4-5-9-21(20)29-15-12-19(24(29)32)23(31)27-18-10-13-28(14-11-18)16-22(30)26-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)(H,27,31)
InChIKeyFHXGIENDOHCGFI-UHFFFAOYSA-N
MW499.41 g/mol
LogP3.02
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 55788463) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID55788463
Molecular FormulaC24H27BrN4O3
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCN(c3ccccc3Br)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C24H27BrN4O3/c25-20-8-4-5-9-21(20)29-15-12-19(24(29)32)23(31)27-18-10-13-28(14-11-18)16-22(30)26-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)(H,27,31)
InChIKeyFHXGIENDOHCGFI-UHFFFAOYSA-N
XLogP3.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 112834285
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55517957
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42940797
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16613524
N-[2-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119604411
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368549
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide (CID 55788463) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide is O=C(CN1CCC(NC(=O)C2CCN(c3ccccc3Br)C2=O)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is FHXGIENDOHCGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c25-20-8-4-5-9-21(20)29-15-12-19(24(29)32)23(31)27-18-10-13-28(14-11-18)16-22(30)26-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)(H,27,31).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 499.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55788463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).