3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C17H20F3N3O3 — CID 119048714

IUPAC3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CCC1C(F)(F)F
InChIInChI=1S/C17H20F3N3O3/c1-16(2)9-23(6-5-13(16)17(18,19)20)15(25)21-10-3-4-12-11(7-10)22-14(24)8-26-12/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyLQJWKYVRLVUTCE-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.46
Rot. Bonds1

About 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 119048714) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID119048714
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CCC1C(F)(F)F
InChIInChI=1S/C17H20F3N3O3/c1-16(2)9-23(6-5-13(16)17(18,19)20)15(25)21-10-3-4-12-11(7-10)22-14(24)8-26-12/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyLQJWKYVRLVUTCE-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(4S)-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124851582
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide
CID 3844680
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119048744
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11582496
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 78893189
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 69100489
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 119048714) is 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is CC1(C)CN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CCC1C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is LQJWKYVRLVUTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-16(2)9-23(6-5-13(16)17(18,19)20)15(25)21-10-3-4-12-11(7-10)22-14(24)8-26-12/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119048714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).