N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

C24H35N5O3 — CID 154837514

About N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 154837514) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 154837514
• Molecular Formula: C24H35N5O3
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.27
• IUPAC Name: N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
• SMILES: CC1CCCCN1CC1CCCN(C(=O)NCc2cccc(C3(C)NC(=O)NC3=O)c2)C1
• InChI: InChI=1S/C24H35N5O3/c1-17-7-3-4-11-28(17)15-19-9-6-12-29(16-19)23(32)25-14-18-8-5-10-20(13-18)24(2)21(30)26-22(31)27-24/h5,8,10,13,17,19H,3-4,6-7,9,11-12,14-16H2,1-2H3,(H,25,32)(H2,26,27,30,31)
• InChIKey: YTWLXCSEJHZBSI-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 93.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 154837514) is N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is CC1CCCCN1CC1CCCN(C(=O)NCc2cccc(C3(C)NC(=O)NC3=O)c2)C1.

What is the InChIKey of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?

The InChIKey is YTWLXCSEJHZBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-17-7-3-4-11-28(17)15-19-9-6-12-29(16-19)23(32)25-14-18-8-5-10-20(13-18)24(2)21(30)26-22(31)27-24/h5,8,10,13,17,19H,3-4,6-7,9,11-12,14-16H2,1-2H3,(H,25,32)(H2,26,27,30,31).

What are the key properties of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?

N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[(2-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154837514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).