(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone

C22H31N3O2 — CID 45197086

About (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone

(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45197086) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 45197086
• Molecular Formula: C22H31N3O2
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.24
• IUPAC Name: (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
• SMILES: CC(C)Oc1cccc(C(=O)C2CCCN(Cc3cc(C(C)C)n[nH]3)C2)c1
• InChI: InChI=1S/C22H31N3O2/c1-15(2)21-12-19(23-24-21)14-25-10-6-8-18(13-25)22(26)17-7-5-9-20(11-17)27-16(3)4/h5,7,9,11-12,15-16,18H,6,8,10,13-14H2,1-4H3,(H,23,24)
• InChIKey: NAKODPLKXWZOQQ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone?

The IUPAC name of (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone (CID 45197086) is (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone.

What is the SMILES notation for (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone?

The canonical SMILES for (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone is CC(C)Oc1cccc(C(=O)C2CCCN(Cc3cc(C(C)C)n[nH]3)C2)c1.

What is the InChIKey of (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone?

The InChIKey is NAKODPLKXWZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)21-12-19(23-24-21)14-25-10-6-8-18(13-25)22(26)17-7-5-9-20(11-17)27-16(3)4/h5,7,9,11-12,15-16,18H,6,8,10,13-14H2,1-4H3,(H,23,24).

What are the key properties of (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone?

(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45197086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).