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

C21H34N4O2 — CID 155900446

IUPAC[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
SMILESCC(C)CCN1CCC2(CC1)OC(C(=O)N1CCCCC1)Cn1ccnc12
InChIInChI=1S/C21H34N4O2/c1-17(2)6-12-23-13-7-21(8-14-23)20-22-9-15-25(20)16-18(27-21)19(26)24-10-4-3-5-11-24/h9,15,17-18H,3-8,10-14,16H2,1-2H3
InChIKeyFPDBUYNUCQTSCX-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.63
Rot. Bonds4

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

[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone (PubChem CID 155900446) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
PubChem CID155900446
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
SMILESCC(C)CCN1CCC2(CC1)OC(C(=O)N1CCCCC1)Cn1ccnc12
InChIInChI=1S/C21H34N4O2/c1-17(2)6-12-23-13-7-21(8-14-23)20-22-9-15-25(20)16-18(27-21)19(26)24-10-4-3-5-11-24/h9,15,17-18H,3-8,10-14,16H2,1-2H3
InChIKeyFPDBUYNUCQTSCX-UHFFFAOYSA-N
XLogP2.63
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6R)-1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone
CID 97440324
[(6R)-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 97401296
[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 131650965
[1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171672497
2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155850147
1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155843456
morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 131656590
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
CID 131661410
morpholin-4-yl-[1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 134074327
[1'-(5-ethylpyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 155900785
1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077208

Frequently Asked Questions

What is the IUPAC name of [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone (CID 155900446) is [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone is CC(C)CCN1CCC2(CC1)OC(C(=O)N1CCCCC1)Cn1ccnc12.
What is the InChIKey of [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
The InChIKey is FPDBUYNUCQTSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17(2)6-12-23-13-7-21(8-14-23)20-22-9-15-25(20)16-18(27-21)19(26)24-10-4-3-5-11-24/h9,15,17-18H,3-8,10-14,16H2,1-2H3.
What are the key properties of [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone?
[1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone has a molecular weight of 374.53 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(3-methylbutyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155900446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).