1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone

C20H26N4O2 — CID 75367604

IUPAC1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)CC1
InChIInChI=1S/C20H26N4O2/c1-15(25)23-9-7-17(8-10-23)21-11-18-13-24-19(12-22-20(24)14-26-18)16-5-3-2-4-6-16/h2-6,12,17-18,21H,7-11,13-14H2,1H3/t18-/m0/s1
InChIKeyZEBUEXXQQARNIG-SFHVURJKSA-N
MW354.45 g/mol
LogP2.05
Rot. Bonds4

About 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone

1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone (PubChem CID 75367604) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
PubChem CID75367604
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)CC1
InChIInChI=1S/C20H26N4O2/c1-15(25)23-9-7-17(8-10-23)21-11-18-13-24-19(12-22-20(24)14-26-18)16-5-3-2-4-6-16/h2-6,12,17-18,21H,7-11,13-14H2,1H3/t18-/m0/s1
InChIKeyZEBUEXXQQARNIG-SFHVURJKSA-N
XLogP2.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone (CID 75367604) is 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)CC1.
What is the InChIKey of 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is ZEBUEXXQQARNIG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(25)23-9-7-17(8-10-23)21-11-18-13-24-19(12-22-20(24)14-26-18)16-5-3-2-4-6-16/h2-6,12,17-18,21H,7-11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 75367604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).