[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone

C23H29N5O4 — CID 155870660

IUPAC[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)OC(C(=O)N2CCOCC2)Cn2ccnc23)cn1
InChIInChI=1S/C23H29N5O4/c1-2-18-4-3-17(15-25-18)20(29)26-8-5-23(6-9-26)22-24-7-10-28(22)16-19(32-23)21(30)27-11-13-31-14-12-27/h3-4,7,10,15,19H,2,5-6,8-9,11-14,16H2,1H3
InChIKeyYYYNDQFWAQGCHL-UHFFFAOYSA-N
MW439.52 g/mol
LogP1.23
Rot. Bonds3

About [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone

[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone (PubChem CID 155870660) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
PubChem CID155870660
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)OC(C(=O)N2CCOCC2)Cn2ccnc23)cn1
InChIInChI=1S/C23H29N5O4/c1-2-18-4-3-17(15-25-18)20(29)26-8-5-23(6-9-26)22-24-7-10-28(22)16-19(32-23)21(30)27-11-13-31-14-12-27/h3-4,7,10,15,19H,2,5-6,8-9,11-14,16H2,1H3
InChIKeyYYYNDQFWAQGCHL-UHFFFAOYSA-N
XLogP1.23
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone (CID 155870660) is [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone is CCc1ccc(C(=O)N2CCC3(CC2)OC(C(=O)N2CCOCC2)Cn2ccnc23)cn1.
What is the InChIKey of [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is YYYNDQFWAQGCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-2-18-4-3-17(15-25-18)20(29)26-8-5-23(6-9-26)22-24-7-10-28(22)16-19(32-23)21(30)27-11-13-31-14-12-27/h3-4,7,10,15,19H,2,5-6,8-9,11-14,16H2,1H3.
What are the key properties of [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone?
[1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 439.52 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(6-ethylpyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155870660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).