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

C24H27N3O5 — CID 26617899

IUPAC1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC
InChIInChI=1S/C24H27N3O5/c1-31-20-9-8-18(14-21(20)32-2)27-22(28)15-19(24(27)30)26-12-10-16(11-13-26)23(29)25-17-6-4-3-5-7-17/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyDCFRMWMLSMFAJU-LJQANCHMSA-N
MW437.50 g/mol
LogP2.69
Rot. Bonds6

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

1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 26617899) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID26617899
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC
InChIInChI=1S/C24H27N3O5/c1-31-20-9-8-18(14-21(20)32-2)27-22(28)15-19(24(27)30)26-12-10-16(11-13-26)23(29)25-17-6-4-3-5-7-17/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyDCFRMWMLSMFAJU-LJQANCHMSA-N
XLogP2.69
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546523
1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
1-[(3R)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 699072
1-[1-[4-(difluoromethylsulfanyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 42892495
1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 42891823
1-[(3S)-1-(2-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 26617908
1-[(3R)-2,5-dioxo-1-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 40961274
1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 16583901
(3R)-1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2126438
1-[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51514552
methyl 1-[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate
CID 8001406
methyl 1-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 1221433

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide (CID 26617899) is 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide is COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC.
What is the InChIKey of 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is DCFRMWMLSMFAJU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-31-20-9-8-18(14-21(20)32-2)27-22(28)15-19(24(27)30)26-12-10-16(11-13-26)23(29)25-17-6-4-3-5-7-17/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,29)/t19-/m1/s1.
What are the key properties of 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide?
1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26617899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).