(4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone

C17H26N4O2 — CID 53167808

IUPAC(4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1cn2c(n1)COCC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(15-12-21-10-11-23-13-16(21)18-15)20-8-6-19(7-9-20)14-4-2-1-3-5-14/h12,14H,1-11,13H2
InChIKeyWQJLSPWBDKNBFB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.50
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone (PubChem CID 53167808) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone
PubChem CID53167808
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1cn2c(n1)COCC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2/c22-17(15-12-21-10-11-23-13-16(21)18-15)20-8-6-19(7-9-20)14-4-2-1-3-5-14/h12,14H,1-11,13H2
InChIKeyWQJLSPWBDKNBFB-UHFFFAOYSA-N
XLogP1.50
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone (CID 53167808) is (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone is O=C(c1cn2c(n1)COCC2)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
The InChIKey is WQJLSPWBDKNBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(15-12-21-10-11-23-13-16(21)18-15)20-8-6-19(7-9-20)14-4-2-1-3-5-14/h12,14H,1-11,13H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methanone is sourced from PubChem (CID 53167808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).