[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C18H21FN2O4 — CID 7360135

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)NC1CC1
InChIInChI=1S/C18H21FN2O4/c19-14-3-1-12(2-4-14)17(23)21-9-7-13(8-10-21)18(24)25-11-16(22)20-15-5-6-15/h1-4,13,15H,5-11H2,(H,20,22)
InChIKeyDPWPMYNKDLQYGE-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.50
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 7360135) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID7360135
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)NC1CC1
InChIInChI=1S/C18H21FN2O4/c19-14-3-1-12(2-4-14)17(23)21-9-7-13(8-10-21)18(24)25-11-16(22)20-15-5-6-15/h1-4,13,15H,5-11H2,(H,20,22)
InChIKeyDPWPMYNKDLQYGE-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635164
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
[2-(cycloheptylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 3376009
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309412
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309471
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 4830946
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 42543833
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 7360135) is [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is DPWPMYNKDLQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-14-3-1-12(2-4-14)17(23)21-9-7-13(8-10-21)18(24)25-11-16(22)20-15-5-6-15/h1-4,13,15H,5-11H2,(H,20,22).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 348.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7360135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).