N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide

C29H31N5O4 — CID 22392764

IUPACN-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide
SMILESCC(=O)N1CCC(C(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C2NC(=O)NC2=O)CC1
InChIInChI=1S/C29H31N5O4/c1-17-15-22(23-5-3-4-6-24(23)30-17)16-19-7-9-21(10-8-19)27(36)31-25(26-28(37)33-29(38)32-26)20-11-13-34(14-12-20)18(2)35/h3-10,15,20,25-26H,11-14,16H2,1-2H3,(H,31,36)(H2,32,33,37,38)
InChIKeyUWBQKTMFVXSZHL-UHFFFAOYSA-N
MW513.60 g/mol
LogP2.70
Rot. Bonds6

About N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide

N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide (PubChem CID 22392764) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide
PubChem CID22392764
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC NameN-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide
SMILESCC(=O)N1CCC(C(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C2NC(=O)NC2=O)CC1
InChIInChI=1S/C29H31N5O4/c1-17-15-22(23-5-3-4-6-24(23)30-17)16-19-7-9-21(10-8-19)27(36)31-25(26-28(37)33-29(38)32-26)20-11-13-34(14-12-20)18(2)35/h3-10,15,20,25-26H,11-14,16H2,1-2H3,(H,31,36)(H2,32,33,37,38)
InChIKeyUWBQKTMFVXSZHL-UHFFFAOYSA-N
XLogP2.70
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide (CID 22392764) is N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide is CC(=O)N1CCC(C(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C2NC(=O)NC2=O)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide?
The InChIKey is UWBQKTMFVXSZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-17-15-22(23-5-3-4-6-24(23)30-17)16-19-7-9-21(10-8-19)27(36)31-25(26-28(37)33-29(38)32-26)20-11-13-34(14-12-20)18(2)35/h3-10,15,20,25-26H,11-14,16H2,1-2H3,(H,31,36)(H2,32,33,37,38).
What are the key properties of N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide?
N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide has a molecular weight of 513.60 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)-(2,5-dioxoimidazolidin-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 22392764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).