1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride

C24H28ClN3O3 — CID 42891823

IUPAC1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1N1C(=O)CC(N2CCC(C(=O)Nc3ccccc3)CC2)C1=O.Cl
InChIInChI=1S/C24H27N3O3.ClH/c1-16-7-6-8-17(2)22(16)27-21(28)15-20(24(27)30)26-13-11-18(12-14-26)23(29)25-19-9-4-3-5-10-19;/h3-10,18,20H,11-15H2,1-2H3,(H,25,29);1H
InChIKeyZRCCFVQRADUKBL-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.71
Rot. Bonds4

About 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride

1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride (PubChem CID 42891823) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
PubChem CID42891823
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1N1C(=O)CC(N2CCC(C(=O)Nc3ccccc3)CC2)C1=O.Cl
InChIInChI=1S/C24H27N3O3.ClH/c1-16-7-6-8-17(2)22(16)27-21(28)15-20(24(27)30)26-13-11-18(12-14-26)23(29)25-19-9-4-3-5-10-19;/h3-10,18,20H,11-15H2,1-2H3,(H,25,29);1H
InChIKeyZRCCFVQRADUKBL-UHFFFAOYSA-N
XLogP3.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 26617908
1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 26617899
1-[1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 42892495
1-[(3S)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546523
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17190530
1-[(3S)-1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 27818551
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
1-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51514552
ethyl 1-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 3148451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride (CID 42891823) is 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride is Cc1cccc(C)c1N1C(=O)CC(N2CCC(C(=O)Nc3ccccc3)CC2)C1=O.Cl.
What is the InChIKey of 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZRCCFVQRADUKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.ClH/c1-16-7-6-8-17(2)22(16)27-21(28)15-20(24(27)30)26-13-11-18(12-14-26)23(29)25-19-9-4-3-5-10-19;/h3-10,18,20H,11-15H2,1-2H3,(H,25,29);1H.
What are the key properties of 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride?
1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 441.96 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 42891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).