[1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C23H30F6N4O6 — CID 155828583

IUPAC[1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(C1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N4O2.2C2HF3O2/c24-17(22-8-1-2-9-22)16-14-23-12-7-20-18(23)19(25-16)5-10-21(11-6-19)13-15-3-4-15;2*3-2(4,5)1(6)7/h7,12,15-16H,1-6,8-11,13-14H2;2*(H,6,7)
InChIKeyKDWGPJQAMCOBFX-UHFFFAOYSA-N
MW572.50 g/mol
LogP2.87
Rot. Bonds3

About [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)

[1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155828583) has the molecular formula C23H30F6N4O6 and a molecular weight of 572.50 g/mol. Its IUPAC name is [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name[1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155828583
Molecular FormulaC23H30F6N4O6
Molecular Weight572.50 g/mol
Exact Mass572.21
IUPAC Name[1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(C1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N4O2.2C2HF3O2/c24-17(22-8-1-2-9-22)16-14-23-12-7-20-18(23)19(25-16)5-10-21(11-6-19)13-15-3-4-15;2*3-2(4,5)1(6)7/h7,12,15-16H,1-6,8-11,13-14H2;2*(H,6,7)
InChIKeyKDWGPJQAMCOBFX-UHFFFAOYSA-N
XLogP2.87
TPSA125.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of [1'-(cyclopropylmethyl)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 155828583) is [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) is O=C(C1Cn2ccnc2C2(CCN(CC3CC3)CC2)O1)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KDWGPJQAMCOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2C2HF3O2/c24-17(22-8-1-2-9-22)16-14-23-12-7-20-18(23)19(25-16)5-10-21(11-6-19)13-15-3-4-15;2*3-2(4,5)1(6)7/h7,12,15-16H,1-6,8-11,13-14H2;2*(H,6,7).
What are the key properties of [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
[1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 572.50 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(cyclopropylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).