N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide

C19H24F4N4O3 — CID 86732158

IUPACN-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(F)c([C@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)CC1
InChIInChI=1S/C19H24F4N4O3/c1-18(10-15(19(21,22)23)30-16(24)26-18)13-9-11(3-4-14(13)20)25-17(28)27-7-5-12(29-2)6-8-27/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,24,26)(H,25,28)/t15-,18-/m0/s1
InChIKeyVAIOWIBYRXKPBX-YJBOKZPZSA-N
MW432.42 g/mol
LogP3.35
Rot. Bonds3

About N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide

N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 86732158) has the molecular formula C19H24F4N4O3 and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide
PubChem CID86732158
Molecular FormulaC19H24F4N4O3
Molecular Weight432.42 g/mol
Exact Mass432.18
IUPAC NameN-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(F)c([C@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)CC1
InChIInChI=1S/C19H24F4N4O3/c1-18(10-15(19(21,22)23)30-16(24)26-18)13-9-11(3-4-14(13)20)25-17(28)27-7-5-12(29-2)6-8-27/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,24,26)(H,25,28)/t15-,18-/m0/s1
InChIKeyVAIOWIBYRXKPBX-YJBOKZPZSA-N
XLogP3.35
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide (CID 86732158) is N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)Nc2ccc(F)c([C@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)CC1.
What is the InChIKey of N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is VAIOWIBYRXKPBX-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H24F4N4O3/c1-18(10-15(19(21,22)23)30-16(24)26-18)13-9-11(3-4-14(13)20)25-17(28)27-7-5-12(29-2)6-8-27/h3-4,9,12,15H,5-8,10H2,1-2H3,(H2,24,26)(H,25,28)/t15-,18-/m0/s1.
What are the key properties of N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide?
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 86732158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).