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

C22H22BrN3O3 — CID 26617908

IUPAC1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1
InChIInChI=1S/C22H22BrN3O3/c23-17-8-4-5-9-18(17)26-20(27)14-19(22(26)29)25-12-10-15(11-13-25)21(28)24-16-6-2-1-3-7-16/h1-9,15,19H,10-14H2,(H,24,28)/t19-/m0/s1
InChIKeyRRUDETBSUUBIOA-IBGZPJMESA-N
MW456.34 g/mol
LogP3.43
Rot. Bonds4

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

1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 26617908) has the molecular formula C22H22BrN3O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID26617908
Molecular FormulaC22H22BrN3O3
Molecular Weight456.34 g/mol
Exact Mass455.08
IUPAC Name1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1
InChIInChI=1S/C22H22BrN3O3/c23-17-8-4-5-9-18(17)26-20(27)14-19(22(26)29)25-12-10-15(11-13-25)21(28)24-16-6-2-1-3-7-16/h1-9,15,19H,10-14H2,(H,24,28)/t19-/m0/s1
InChIKeyRRUDETBSUUBIOA-IBGZPJMESA-N
XLogP3.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 42891823
1-[1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 42892495
1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 26617899
1-[(3S)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546523
1-[(3S)-1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 27818551
1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 16583901
1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 6471615
1-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51514552
1-[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2858496
1-[(3R)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 1041753
(3S)-1-(2-bromophenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 98345854

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide (CID 26617908) is 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccccc3Br)C2=O)CC1.
What is the InChIKey of 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is RRUDETBSUUBIOA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22BrN3O3/c23-17-8-4-5-9-18(17)26-20(27)14-19(22(26)29)25-12-10-15(11-13-25)21(28)24-16-6-2-1-3-7-16/h1-9,15,19H,10-14H2,(H,24,28)/t19-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26617908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).