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

C25H27N3O3 — CID 50845883

IUPAC4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide
SMILESCC1CCN(C2=CC(=O)N(c3ccc(C(=O)NC(C)c4ccccc4)cc3)C2=O)CC1
InChIInChI=1S/C25H27N3O3/c1-17-12-14-27(15-13-17)22-16-23(29)28(25(22)31)21-10-8-20(9-11-21)24(30)26-18(2)19-6-4-3-5-7-19/h3-11,16-18H,12-15H2,1-2H3,(H,26,30)
InChIKeySLYRFVPMTGNGKP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.67
Rot. Bonds5

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

4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide (PubChem CID 50845883) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide
PubChem CID50845883
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide
SMILESCC1CCN(C2=CC(=O)N(c3ccc(C(=O)NC(C)c4ccccc4)cc3)C2=O)CC1
InChIInChI=1S/C25H27N3O3/c1-17-12-14-27(15-13-17)22-16-23(29)28(25(22)31)21-10-8-20(9-11-21)24(30)26-18(2)19-6-4-3-5-7-19/h3-11,16-18H,12-15H2,1-2H3,(H,26,30)
InChIKeySLYRFVPMTGNGKP-UHFFFAOYSA-N
XLogP3.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.67
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

4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
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-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 46349317
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 92874906
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95053000
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 50846335
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54816800
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109047024

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide (CID 50845883) is 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide is CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NC(C)c4ccccc4)cc3)C2=O)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide?
The InChIKey is SLYRFVPMTGNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-12-14-27(15-13-17)22-16-23(29)28(25(22)31)21-10-8-20(9-11-21)24(30)26-18(2)19-6-4-3-5-7-19/h3-11,16-18H,12-15H2,1-2H3,(H,26,30).
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide?
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 50845883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).