3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C19H28N4O4 — CID 42152409

About 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42152409) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
• PubChem CID: 42152409
• Molecular Formula: C19H28N4O4
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.21
• IUPAC Name: 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
• SMILES: CC1=C(C(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)OCCO1
• InChI: InChI=1S/C19H28N4O4/c1-13(2)12-17(24)21-16-4-7-20-23(16)15-5-8-22(9-6-15)19(25)18-14(3)26-10-11-27-18/h4,7,13,15H,5-6,8-12H2,1-3H3,(H,21,24)
• InChIKey: KYOUPMDUCRTWLP-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide?

The IUPAC name of 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42152409) is 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

What is the SMILES notation for 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide?

The canonical SMILES for 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC1=C(C(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)OCCO1.

What is the InChIKey of 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide?

The InChIKey is KYOUPMDUCRTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13(2)12-17(24)21-16-4-7-20-23(16)15-5-8-22(9-6-15)19(25)18-14(3)26-10-11-27-18/h4,7,13,15H,5-6,8-12H2,1-3H3,(H,21,24).

What are the key properties of 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide?

3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 376.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42152409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).