6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

C14H16F3N3O2 — CID 139267939

IUPAC6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC(=O)NCN1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O2/c1-8(9-2-4-10(5-3-9)14(15,16)17)20-13(22)11-6-12(21)19-7-18-11/h2-5,8,11,18H,6-7H2,1H3,(H,19,21)(H,20,22)/t8-,11?/m1/s1
InChIKeyVCVAVKXCVDEMFC-RZZZFEHKSA-N
MW315.30 g/mol
LogP1.32
Rot. Bonds3

About 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139267939) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139267939
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CC(=O)NCN1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O2/c1-8(9-2-4-10(5-3-9)14(15,16)17)20-13(22)11-6-12(21)19-7-18-11/h2-5,8,11,18H,6-7H2,1H3,(H,19,21)(H,20,22)/t8-,11?/m1/s1
InChIKeyVCVAVKXCVDEMFC-RZZZFEHKSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
US9815796, Example 262
CID 139268193
US9815796, Example 337
CID 139268261
US9815796, Example 435
CID 139268358
US10285989, Example 1
CID 145996093
US10285989, Example 2
CID 145996094
US10285989, Example 26
CID 145996108
US10285989, Example 31
CID 145996112
US10285989, Example 37
CID 145996118
US10285989, Example 38
CID 145996119
US10285989, Example 40
CID 145996121
US10285989, Example 41
CID 145996122

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139267939) is 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is C[C@@H](NC(=O)C1CC(=O)NCN1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is VCVAVKXCVDEMFC-RZZZFEHKSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-8(9-2-4-10(5-3-9)14(15,16)17)20-13(22)11-6-12(21)19-7-18-11/h2-5,8,11,18H,6-7H2,1H3,(H,19,21)(H,20,22)/t8-,11?/m1/s1.
What are the key properties of 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).