2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C20H33N5O2 — CID 95832102

About 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 95832102) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
• PubChem CID: 95832102
• Molecular Formula: C20H33N5O2
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.26
• IUPAC Name: 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
• SMILES: CC(C)n1nccc1NC(=O)CN1CCC([C@H]2CCCCN(C)C2=O)CC1
• InChI: InChI=1S/C20H33N5O2/c1-15(2)25-18(7-10-21-25)22-19(26)14-24-12-8-16(9-13-24)17-6-4-5-11-23(3)20(17)27/h7,10,15-17H,4-6,8-9,11-14H2,1-3H3,(H,22,26)/t17-/m1/s1
• InChIKey: MALCXFRPVASAOY-QGZVFWFLSA-N
• XLogP: 2.37
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?

The IUPAC name of 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 95832102) is 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

What is the SMILES notation for 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?

The canonical SMILES for 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN1CCC([C@H]2CCCCN(C)C2=O)CC1.

What is the InChIKey of 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?

The InChIKey is MALCXFRPVASAOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-15(2)25-18(7-10-21-25)22-19(26)14-24-12-8-16(9-13-24)17-6-4-5-11-23(3)20(17)27/h7,10,15-17H,4-6,8-9,11-14H2,1-3H3,(H,22,26)/t17-/m1/s1.

What are the key properties of 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?

2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 95832102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).