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

C19H27FN2O4 — CID 171905752

IUPACtert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate
SMILESCc1cc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(F)cc1O
InChIInChI=1S/C19H27FN2O4/c1-12-10-14(15(20)11-16(12)23)17(24)22-8-6-13(7-9-22)21(5)18(25)26-19(2,3)4/h10-11,13,23H,6-9H2,1-5H3
InChIKeyPSUHNSYLAZEMSU-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.31
Rot. Bonds2

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

tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 171905752) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID171905752
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Nametert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate
SMILESCc1cc(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(F)cc1O
InChIInChI=1S/C19H27FN2O4/c1-12-10-14(15(20)11-16(12)23)17(24)22-8-6-13(7-9-22)21(5)18(25)26-19(2,3)4/h10-11,13,23H,6-9H2,1-5H3
InChIKeyPSUHNSYLAZEMSU-UHFFFAOYSA-N
XLogP3.31
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate (CID 171905752) is tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate is Cc1cc(C(=O)N2CCC(N(C)C(=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]-N-methylcarbamate?
The InChIKey is PSUHNSYLAZEMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-12-10-14(15(20)11-16(12)23)17(24)22-8-6-13(7-9-22)21(5)18(25)26-19(2,3)4/h10-11,13,23H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 366.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 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]-N-methylcarbamate is sourced from PubChem (CID 171905752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).