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

C20H26N4O4 — CID 93070805

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

(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 93070805) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
• PubChem CID: 93070805
• Molecular Formula: C20H26N4O4
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.20
• IUPAC Name: (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
• SMILES: CCn1c(N2CCC[C@H](C(=O)Nc3cccc(OC)c3)C2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C20H26N4O4/c1-4-24-17(12-18(25)22(2)20(24)27)23-10-6-7-14(13-23)19(26)21-15-8-5-9-16(11-15)28-3/h5,8-9,11-12,14H,4,6-7,10,13H2,1-3H3,(H,21,26)/t14-/m0/s1
• InChIKey: DQBXKHSRDVMERZ-AWEZNQCLSA-N
• XLogP: 1.43
• TPSA: 85.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide (CID 93070805) is (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide is CCn1c(N2CCC[C@H](C(=O)Nc3cccc(OC)c3)C2)cc(=O)n(C)c1=O.

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

The InChIKey is DQBXKHSRDVMERZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-4-24-17(12-18(25)22(2)20(24)27)23-10-6-7-14(13-23)19(26)21-15-8-5-9-16(11-15)28-3/h5,8-9,11-12,14H,4,6-7,10,13H2,1-3H3,(H,21,26)/t14-/m0/s1.

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

(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93070805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).