tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate

C17H24FN3O4 — CID 86652735

IUPACtert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(ONC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O4/c1-17(2,3)24-16(23)21-10-8-14(9-11-21)25-20-15(22)19-13-6-4-12(18)5-7-13/h4-7,14H,8-11H2,1-3H3,(H2,19,20,22)
InChIKeyDOZZPKZIPWWDDH-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate

tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate (PubChem CID 86652735) has the molecular formula C17H24FN3O4 and a molecular weight of 353.39 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate
PubChem CID86652735
Molecular FormulaC17H24FN3O4
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC Nametert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(ONC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O4/c1-17(2,3)24-16(23)21-10-8-14(9-11-21)25-20-15(22)19-13-6-4-12(18)5-7-13/h4-7,14H,8-11H2,1-3H3,(H2,19,20,22)
InChIKeyDOZZPKZIPWWDDH-UHFFFAOYSA-N
XLogP3.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(azocan-1-ylsulfonyl)piperidin-4-yl]oxy-3-(4-fluorophenyl)urea
CID 44553624
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl (3R,4R)-4-(4-fluoroanilino)-3-methylpiperidine-1-carboxylate
CID 169123473
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
tert-butyl 4-[N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111089332
1-(4-fluorophenyl)-3-[1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]oxyurea
CID 87275446
tert-butyl 4-[4-(4-fluorophenyl)-3-oxobutanoyl]piperidine-1-carboxylate
CID 69448029
tert-butyl (3S)-3-[(4-iodophenyl)carbamoyloxy]pyrrolidine-1-carboxylate
CID 169298617
tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989028
tert-butyl 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylate
CID 123845758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate (CID 86652735) is tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(ONC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate?
The InChIKey is DOZZPKZIPWWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4/c1-17(2,3)24-16(23)21-10-8-14(9-11-21)25-20-15(22)19-13-6-4-12(18)5-7-13/h4-7,14H,8-11H2,1-3H3,(H2,19,20,22).
What are the key properties of tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate?
tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate has a molecular weight of 353.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-fluorophenyl)carbamoylamino]oxypiperidine-1-carboxylate is sourced from PubChem (CID 86652735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).