tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate

C17H23FN2O3 — CID 53255515

IUPACtert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O3/c1-17(2,3)23-16(22)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,19,21)
InChIKeyQWDHRUGIAJTLCL-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.95
Rot. Bonds2

About tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 53255515) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID53255515
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Nametert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O3/c1-17(2,3)23-16(22)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,19,21)
InChIKeyQWDHRUGIAJTLCL-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 55986626
tert-butyl 4-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 176731481
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 55984768
tert-butyl 4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 11951440
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
4-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 24792468

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate (CID 53255515) is tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is QWDHRUGIAJTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-17(2,3)23-16(22)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 322.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 53255515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).