tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate

C18H25FN2O3 — CID 2810466

IUPACtert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-10-8-13(9-11-21)12-20-16(22)14-4-6-15(19)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,20,22)
InChIKeyKKIGJNCMAMFHET-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 2810466) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
PubChem CID2810466
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-10-8-13(9-11-21)12-20-16(22)14-4-6-15(19)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,20,22)
InChIKeyKKIGJNCMAMFHET-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 58748194
tert-butyl 3-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 78047404
tert-butyl 3-[[(4-phenylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71270947
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
tert-butyl 4-[[[4-[(2-chlorophenyl)methylamino]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 71197020
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
tert-butyl (3S)-3-[[(4-fluorophenyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97057086
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate (CID 2810466) is tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is KKIGJNCMAMFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-10-8-13(9-11-21)12-20-16(22)14-4-6-15(19)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 2810466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).