1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C24H31F3N4O4 — CID 155843456

IUPAC1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CCN1CCC2(CC1)OC(C(=O)Nc1ccccc1)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H30N4O2.C2HF3O2/c1-17(2)8-12-25-13-9-22(10-14-25)21-23-11-15-26(21)16-19(28-22)20(27)24-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-7,11,15,17,19H,8-10,12-14,16H2,1-2H3,(H,24,27);(H,6,7)
InChIKeyARZPRNYCJSSJNK-UHFFFAOYSA-N
MW496.53 g/mol
LogP3.89
Rot. Bonds5

About 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155843456) has the molecular formula C24H31F3N4O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155843456
Molecular FormulaC24H31F3N4O4
Molecular Weight496.53 g/mol
Exact Mass496.23
IUPAC Name1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CCN1CCC2(CC1)OC(C(=O)Nc1ccccc1)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H30N4O2.C2HF3O2/c1-17(2)8-12-25-13-9-22(10-14-25)21-23-11-15-26(21)16-19(28-22)20(27)24-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-7,11,15,17,19H,8-10,12-14,16H2,1-2H3,(H,24,27);(H,6,7)
InChIKeyARZPRNYCJSSJNK-UHFFFAOYSA-N
XLogP3.89
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is CC(C)CCN1CCC2(CC1)OC(C(=O)Nc1ccccc1)Cn1ccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ARZPRNYCJSSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.C2HF3O2/c1-17(2)8-12-25-13-9-22(10-14-25)21-23-11-15-26(21)16-19(28-22)20(27)24-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-7,11,15,17,19H,8-10,12-14,16H2,1-2H3,(H,24,27);(H,6,7).
What are the key properties of 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 496.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).