2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide

C22H31N5O4 — CID 51949997

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 51949997) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide
• PubChem CID: 51949997
• Molecular Formula: C22H31N5O4
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.24
• IUPAC Name: 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide
• SMILES: C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cn2)CCO1
• InChI: InChI=1S/C22H31N5O4/c1-16-14-26(10-11-31-16)18-7-6-17(12-23-18)13-24-19(28)15-27-20(29)22(25(2)21(27)30)8-4-3-5-9-22/h6-7,12,16H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t16-/m0/s1
• InChIKey: VPSSHKOBJPMNIM-INIZCTEOSA-N
• XLogP: 1.52
• TPSA: 95.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide?

The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide (CID 51949997) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide.

What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide?

The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide is C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cn2)CCO1.

What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide?

The InChIKey is VPSSHKOBJPMNIM-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-16-14-26(10-11-31-16)18-7-6-17(12-23-18)13-24-19(28)15-27-20(29)22(25(2)21(27)30)8-4-3-5-9-22/h6-7,12,16H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t16-/m0/s1.

What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide?

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 51949997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).