1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide

C26H38N6O4 — CID 46381379

About 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 46381379) has the molecular formula C26H38N6O4 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
• PubChem CID: 46381379
• Molecular Formula: C26H38N6O4
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.30
• IUPAC Name: 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
• SMILES: CCn1c(N2CCC(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)CC2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C26H38N6O4/c1-4-32-23(19-24(33)28(2)26(32)35)31-12-9-20(10-13-31)25(34)27-11-14-29-15-17-30(18-16-29)21-5-7-22(36-3)8-6-21/h5-8,19-20H,4,9-18H2,1-3H3,(H,27,34)
• InChIKey: IZFQYCSYZGLCNU-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 92.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide (CID 46381379) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide is CCn1c(N2CCC(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)CC2)cc(=O)n(C)c1=O.

What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?

The InChIKey is IZFQYCSYZGLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O4/c1-4-32-23(19-24(33)28(2)26(32)35)31-12-9-20(10-13-31)25(34)27-11-14-29-15-17-30(18-16-29)21-5-7-22(36-3)8-6-21/h5-8,19-20H,4,9-18H2,1-3H3,(H,27,34).

What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46381379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).