1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone

C22H34N4O3 — CID 155880157

About 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone

1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone (PubChem CID 155880157) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone
• PubChem CID: 155880157
• Molecular Formula: C22H34N4O3
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.26
• IUPAC Name: 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone
• SMILES: CN(Cc1cnc2n1CCOC21CCN(C(=O)CC2(O)CCC2)CC1)CC1CC1
• InChI: InChI=1S/C22H34N4O3/c1-24(15-17-3-4-17)16-18-14-23-20-22(29-12-11-26(18)20)7-9-25(10-8-22)19(27)13-21(28)5-2-6-21/h14,17,28H,2-13,15-16H2,1H3
• InChIKey: WEFSAGVXUNIUIG-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone?

The IUPAC name of 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone (CID 155880157) is 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone.

What is the SMILES notation for 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone?

The canonical SMILES for 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone is CN(Cc1cnc2n1CCOC21CCN(C(=O)CC2(O)CCC2)CC1)CC1CC1.

What is the InChIKey of 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone?

The InChIKey is WEFSAGVXUNIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-24(15-17-3-4-17)16-18-14-23-20-22(29-12-11-26(18)20)7-9-25(10-8-22)19(27)13-21(28)5-2-6-21/h14,17,28H,2-13,15-16H2,1H3.

What are the key properties of 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone?

1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone has a molecular weight of 402.54 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[cyclopropylmethyl(methyl)amino]methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]-2-(1-hydroxycyclobutyl)ethanone is sourced from PubChem (CID 155880157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).