1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one

C22H33N5O — CID 72916265

About 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one

1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one (PubChem CID 72916265) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
• PubChem CID: 72916265
• Molecular Formula: C22H33N5O
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.27
• IUPAC Name: 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
• SMILES: Cc1nn(CCC(=O)N2CCCC(c3nccn3CC3CCC3)C2)c(C)c1C
• InChI: InChI=1S/C22H33N5O/c1-16-17(2)24-27(18(16)3)12-9-21(28)25-11-5-8-20(15-25)22-23-10-13-26(22)14-19-6-4-7-19/h10,13,19-20H,4-9,11-12,14-15H2,1-3H3
• InChIKey: JNMRHVVDXJOKAW-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?

The IUPAC name of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one (CID 72916265) is 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?

The canonical SMILES for 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one is Cc1nn(CCC(=O)N2CCCC(c3nccn3CC3CCC3)C2)c(C)c1C.

What is the InChIKey of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?

The InChIKey is JNMRHVVDXJOKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16-17(2)24-27(18(16)3)12-9-21(28)25-11-5-8-20(15-25)22-23-10-13-26(22)14-19-6-4-7-19/h10,13,19-20H,4-9,11-12,14-15H2,1-3H3.

What are the key properties of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?

1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one has a molecular weight of 383.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 72916265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).