2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C16H26N4O — CID 95607626

About 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95607626) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 95607626
• Molecular Formula: C16H26N4O
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.21
• IUPAC Name: 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
• SMILES: Cc1cnn(C[C@H]2CCCCN2C(=O)CN(C)C2CC2)c1
• InChI: InChI=1S/C16H26N4O/c1-13-9-17-19(10-13)11-15-5-3-4-8-20(15)16(21)12-18(2)14-6-7-14/h9-10,14-15H,3-8,11-12H2,1-2H3/t15-/m1/s1
• InChIKey: NOPZUJJCKOGKST-OAHLLOKOSA-N
• XLogP: 1.67
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 95607626) is 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1cnn(C[C@H]2CCCCN2C(=O)CN(C)C2CC2)c1.

What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?

The InChIKey is NOPZUJJCKOGKST-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-9-17-19(10-13)11-15-5-3-4-8-20(15)16(21)12-18(2)14-6-7-14/h9-10,14-15H,3-8,11-12H2,1-2H3/t15-/m1/s1.

What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?

2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95607626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).