tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea

C17H26FN3O3 — CID 174569625

IUPACtert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
SMILESCC(C)(C)OC=O.O=C(Nc1ccc(F)cc1)NC1CCNCC1
InChIInChI=1S/C12H16FN3O.C5H10O2/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;1-5(2,3)7-4-6/h1-4,11,14H,5-8H2,(H2,15,16,17);4H,1-3H3
InChIKeyWVTDZIIIXRWSNT-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.66
Rot. Bonds3

About tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea

tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea (PubChem CID 174569625) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Nametert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
PubChem CID174569625
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Nametert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
SMILESCC(C)(C)OC=O.O=C(Nc1ccc(F)cc1)NC1CCNCC1
InChIInChI=1S/C12H16FN3O.C5H10O2/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;1-5(2,3)7-4-6/h1-4,11,14H,5-8H2,(H2,15,16,17);4H,1-3H3
InChIKeyWVTDZIIIXRWSNT-UHFFFAOYSA-N
XLogP2.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 142818280
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
methyl 4-[(4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616958
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
CID 165429684
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea?
The IUPAC name of tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea (CID 174569625) is tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea.
What is the SMILES notation for tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea?
The canonical SMILES for tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea is CC(C)(C)OC=O.O=C(Nc1ccc(F)cc1)NC1CCNCC1.
What is the InChIKey of tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea?
The InChIKey is WVTDZIIIXRWSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O.C5H10O2/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;1-5(2,3)7-4-6/h1-4,11,14H,5-8H2,(H2,15,16,17);4H,1-3H3.
What are the key properties of tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea?
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea has a molecular weight of 339.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea is sourced from PubChem (CID 174569625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).