1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C20H29N5O — CID 97191099

About 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 97191099) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• PubChem CID: 97191099
• Molecular Formula: C20H29N5O
• Molecular Weight: 355.49 g/mol
• Exact Mass: 355.24
• IUPAC Name: 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• SMILES: Cc1ccnn1CCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1
• InChI: InChI=1S/C20H29N5O/c1-16-7-9-22-25(16)12-8-19(26)23-11-3-6-18(15-23)20-21-10-13-24(20)14-17-4-2-5-17/h7,9-10,13,17-18H,2-6,8,11-12,14-15H2,1H3/t18-/m1/s1
• InChIKey: VLZDSJGEYHWUJI-GOSISDBHSA-N
• XLogP: 2.98
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.49
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 97191099) is 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

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

The canonical SMILES for 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1.

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

The InChIKey is VLZDSJGEYHWUJI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-7-9-22-25(16)12-8-19(26)23-11-3-6-18(15-23)20-21-10-13-24(20)14-17-4-2-5-17/h7,9-10,13,17-18H,2-6,8,11-12,14-15H2,1H3/t18-/m1/s1.

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

1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 355.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 97191099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).