N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C16H20F3N5O2 — CID 143951456

IUPACN-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESNC1=Nc2ccc(NC(=O)CN3CCN(CC(F)(F)F)CC3)cc2CO1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)10-24-5-3-23(4-6-24)8-14(25)21-12-1-2-13-11(7-12)9-26-15(20)22-13/h1-2,7H,3-6,8-10H2,(H2,20,22)(H,21,25)
InChIKeyJJPDITNIACYOTA-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.28
Rot. Bonds4

About N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 143951456) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID143951456
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC NameN-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESNC1=Nc2ccc(NC(=O)CN3CCN(CC(F)(F)F)CC3)cc2CO1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)10-24-5-3-23(4-6-24)8-14(25)21-12-1-2-13-11(7-12)9-26-15(20)22-13/h1-2,7H,3-6,8-10H2,(H2,20,22)(H,21,25)
InChIKeyJJPDITNIACYOTA-UHFFFAOYSA-N
XLogP1.28
TPSA83.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17476856
CID 87311759
CID 87311759
2-piperidin-1-yl-N-[7-[(2-piperidin-1-ylacetyl)amino]-9H-fluoren-2-yl]acetamide
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N-(4-aminophenyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 62967404
2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide
CID 59319345
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31479408
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171701512
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]acetamide
CID 46689409
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 143951456) is N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is NC1=Nc2ccc(NC(=O)CN3CCN(CC(F)(F)F)CC3)cc2CO1.
What is the InChIKey of N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is JJPDITNIACYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c17-16(18,19)10-24-5-3-23(4-6-24)8-14(25)21-12-1-2-13-11(7-12)9-26-15(20)22-13/h1-2,7H,3-6,8-10H2,(H2,20,22)(H,21,25).
What are the key properties of N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 371.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4H-3,1-benzoxazin-6-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 143951456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).