N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C24H28F4N4O4 — CID 155851979

IUPACN-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC1)C1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27FN4O2.C2HF3O2/c23-18-5-3-17(4-6-18)14-26-10-7-22(8-11-26)21-24-9-12-27(21)15-19(29-22)20(28)25-13-16-1-2-16;3-2(4,5)1(6)7/h3-6,9,12,16,19H,1-2,7-8,10-11,13-15H2,(H,25,28);(H,6,7)
InChIKeyHHJPOEZVASIRQW-UHFFFAOYSA-N
MW512.50 g/mol
LogP3.07
Rot. Bonds5

About N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155851979) has the molecular formula C24H28F4N4O4 and a molecular weight of 512.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155851979
Molecular FormulaC24H28F4N4O4
Molecular Weight512.50 g/mol
Exact Mass512.20
IUPAC NameN-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC1)C1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27FN4O2.C2HF3O2/c23-18-5-3-17(4-6-18)14-26-10-7-22(8-11-26)21-24-9-12-27(21)15-19(29-22)20(28)25-13-16-1-2-16;3-2(4,5)1(6)7/h3-6,9,12,16,19H,1-2,7-8,10-11,13-15H2,(H,25,28);(H,6,7)
InChIKeyHHJPOEZVASIRQW-UHFFFAOYSA-N
XLogP3.07
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[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 N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155851979) is N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[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 N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CC1)C1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HHJPOEZVASIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2.C2HF3O2/c23-18-5-3-17(4-6-18)14-26-10-7-22(8-11-26)21-24-9-12-27(21)15-19(29-22)20(28)25-13-16-1-2-16;3-2(4,5)1(6)7/h3-6,9,12,16,19H,1-2,7-8,10-11,13-15H2,(H,25,28);(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 512.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).