N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide

C18H24FN3O2 — CID 155980716

IUPACN-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C18H24FN3O2/c1-18(2,3)20-16(23)11-22-8-6-12(7-9-22)17-14-5-4-13(19)10-15(14)24-21-17/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,23)
InChIKeyWXPLUCSWBUGSPZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.06
Rot. Bonds3

About N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide

N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 155980716) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
PubChem CID155980716
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C18H24FN3O2/c1-18(2,3)20-16(23)11-22-8-6-12(7-9-22)17-14-5-4-13(19)10-15(14)24-21-17/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,23)
InChIKeyWXPLUCSWBUGSPZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 46970344
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
N-ethyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 156540523
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate
CID 67071116
4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 127040486
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91033130
bis(but-2-enedioic acid);6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
CID 67070997
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide
CID 19372841

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide (CID 155980716) is N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is WXPLUCSWBUGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-18(2,3)20-16(23)11-22-8-6-12(7-9-22)17-14-5-4-13(19)10-15(14)24-21-17/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 155980716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).