tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate

C18H25FN2O4 — CID 146123551

IUPACtert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCOc1cccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)c1F
InChIInChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-10-6-7-12(11-21)20-16(22)13-8-5-9-14(24-4)15(13)19/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,20,22)
InChIKeyGLKNWXVOXFEGQM-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate

tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 146123551) has the molecular formula C18H25FN2O4 and a molecular weight of 352.41 g/mol. Its IUPAC name is tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID146123551
Molecular FormulaC18H25FN2O4
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Nametert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCOc1cccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)c1F
InChIInChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-10-6-7-12(11-21)20-16(22)13-8-5-9-14(24-4)15(13)19/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,20,22)
InChIKeyGLKNWXVOXFEGQM-UHFFFAOYSA-N
XLogP2.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-(1-benzofuran-4-carbonylamino)piperidine-1-carboxylate
CID 66639098
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
tert-butyl 3-[(4,5-diamino-2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 166815279
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
tert-butyl 3-[[4-(carbamoylamino)-1-(3-fluorophenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 67030764
tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene
CID 144885911

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate (CID 146123551) is tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate is COc1cccc(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)c1F.
What is the InChIKey of tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is GLKNWXVOXFEGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-18(2,3)25-17(23)21-10-6-7-12(11-21)20-16(22)13-8-5-9-14(24-4)15(13)19/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 146123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).