4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide

C25H34N4O3 — CID 95053000

IUPAC4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide
SMILESCC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)CC1
InChIInChI=1S/C25H34N4O3/c1-18-10-14-28(15-11-18)22-17-23(30)29(25(22)32)21-8-6-20(7-9-21)24(31)26-12-16-27-13-4-3-5-19(27)2/h6-9,17-19H,3-5,10-16H2,1-2H3,(H,26,31)/t19-/m0/s1
InChIKeyAEERFANHNQXOAF-IBGZPJMESA-N
MW438.57 g/mol
LogP2.78
Rot. Bonds6

About 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide

4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide (PubChem CID 95053000) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide
PubChem CID95053000
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide
SMILESCC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)CC1
InChIInChI=1S/C25H34N4O3/c1-18-10-14-28(15-11-18)22-17-23(30)29(25(22)32)21-8-6-20(7-9-21)24(31)26-12-16-27-13-4-3-5-19(27)2/h6-9,17-19H,3-5,10-16H2,1-2H3,(H,26,31)/t19-/m0/s1
InChIKeyAEERFANHNQXOAF-IBGZPJMESA-N
XLogP2.78
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzamide
CID 50846272
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 50845693
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 50846335
4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50845783
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 9473131
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide (CID 95053000) is 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide is CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide?
The InChIKey is AEERFANHNQXOAF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H34N4O3/c1-18-10-14-28(15-11-18)22-17-23(30)29(25(22)32)21-8-6-20(7-9-21)24(31)26-12-16-27-13-4-3-5-19(27)2/h6-9,17-19H,3-5,10-16H2,1-2H3,(H,26,31)/t19-/m0/s1.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide?
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 95053000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).