tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate

C18H25FN2O4 — CID 171905751

IUPACtert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate
SMILESCc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(F)cc1O
InChIInChI=1S/C18H25FN2O4/c1-11-9-13(14(19)10-15(11)22)16(23)21-7-5-12(6-8-21)20-17(24)25-18(2,3)4/h9-10,12,22H,5-8H2,1-4H3,(H,20,24)
InChIKeySQYKMRJPZPXNBQ-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate (PubChem CID 171905751) has the molecular formula C18H25FN2O4 and a molecular weight of 352.41 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate
PubChem CID171905751
Molecular FormulaC18H25FN2O4
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate
SMILESCc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(F)cc1O
InChIInChI=1S/C18H25FN2O4/c1-11-9-13(14(19)10-15(11)22)16(23)21-7-5-12(6-8-21)20-17(24)25-18(2,3)4/h9-10,12,22H,5-8H2,1-4H3,(H,20,24)
InChIKeySQYKMRJPZPXNBQ-UHFFFAOYSA-N
XLogP2.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)pyrrolidin-3-yl]carbamate
CID 171905736
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 155282262
tert-butyl N-[1-(4-methyl-3-nitrobenzoyl)piperidin-4-yl]carbamate
CID 55736035
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-[2-(2-hydroxyphenyl)-2-oxoacetyl]piperidin-4-yl]carbamate
CID 167977498
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[1-[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]carbamate
CID 55736685
methyl 4-bromo-2-fluoro-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 166637648
tert-butyl N-[1-[5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]piperidin-4-yl]carbamate
CID 55868367

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate (CID 171905751) is tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate is Cc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(F)cc1O.
What is the InChIKey of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate?
The InChIKey is SQYKMRJPZPXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-11-9-13(14(19)10-15(11)22)16(23)21-7-5-12(6-8-21)20-17(24)25-18(2,3)4/h9-10,12,22H,5-8H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate has a molecular weight of 352.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 171905751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).