tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate

C18H25FN2O3 — CID 86848385

IUPACtert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNC(=O)c1ccccc1F
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-11-7-6-8-13(21)12-20-16(22)14-9-4-5-10-15(14)19/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,20,22)
InChIKeyWQMAAKHLIPXMKW-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 86848385) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
PubChem CID86848385
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNC(=O)c1ccccc1F
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-11-7-6-8-13(21)12-20-16(22)14-9-4-5-10-15(14)19/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,20,22)
InChIKeyWQMAAKHLIPXMKW-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123815493
tert-butyl 2-[2-(2,3-difluorophenyl)-2-oxoethyl]azepane-1-carboxylate
CID 114058413
tert-butyl 2-[[(2-fluorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71631754
tert-butyl (2S)-2-[[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]methyl]piperidine-1-carboxylate
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tert-butyl 2-[[(3,4-dihydroxy-7-methyl-5-oxocyclohepta-1,3,6-triene-1-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155279322
tert-butyl 2-[[(4-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxylate
CID 23450132
tert-butyl (2S)-2-[(2R)-2-[2-[(2-chlorobenzoyl)amino]ethylamino]propyl]pyrrolidine-1-carboxylate
CID 97309862
tert-butyl (2S)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
CID 97172674
tert-butyl (2R)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
CID 97172673
tert-butyl 2-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxylate
CID 57355399
tert-butyl (2R)-2-[[(2-fluorophenyl)methylsulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 97172828
tert-butyl 2-[(quinolin-2-ylamino)methyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate (CID 86848385) is tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNC(=O)c1ccccc1F.
What is the InChIKey of tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is WQMAAKHLIPXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-11-7-6-8-13(21)12-20-16(22)14-9-4-5-10-15(14)19/h4-5,9-10,13H,6-8,11-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86848385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).