N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

C22H25FN4O3 — CID 91889521

IUPACN-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C22H25FN4O3/c23-16-3-1-14(2-4-16)19-11-27-13-24-20(18(27)12-30-19)22(29)26-9-7-15(8-10-26)21(28)25-17-5-6-17/h1-4,13,15,17,19H,5-12H2,(H,25,28)
InChIKeyFITJTBBWILGYFI-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.42
Rot. Bonds4

About N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 91889521) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID91889521
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C22H25FN4O3/c23-16-3-1-14(2-4-16)19-11-27-13-24-20(18(27)12-30-19)22(29)26-9-7-15(8-10-26)21(28)25-17-5-6-17/h1-4,13,15,17,19H,5-12H2,(H,25,28)
InChIKeyFITJTBBWILGYFI-UHFFFAOYSA-N
XLogP2.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

benzyl (2S)-2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate
CID 16746585
tert-butyl 4-[5-[(1S)-1-phenylethoxy]carbonyl-1H-imidazole-4-carbonyl]piperazine-1-carboxylate
CID 42628387
N-[(4-Fluorophenyl)methyl]-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889493
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[(furan-2-YL)methyl]piperidine-4-carboxamide
CID 91889538
N-(3-Chloro-4-fluorophenyl)-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889643
N-(4-Chlorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889667
[(1R)-1-phenylethyl] 4-(4-methylpiperidine-1-carbonyl)-1H-imidazole-5-carboxylate
CID 42628384
benzyl 4-[[(1R)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 42628390
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 91889520
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 91889534
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[4-(propan-2-YL)phenyl]piperidine-4-carboxamide
CID 91889652
"N-(3-fluoro-4-methylphenyl)-1-{[6-(4-methoxyphenyl)-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazin-1-yl]carbonyl}-4-piperidinecarboxamide"
CID 91889692

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 91889521) is N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is FITJTBBWILGYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-16-3-1-14(2-4-16)19-11-27-13-24-20(18(27)12-30-19)22(29)26-9-7-15(8-10-26)21(28)25-17-5-6-17/h1-4,13,15,17,19H,5-12H2,(H,25,28).
What are the key properties of N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 91889521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).