tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate

C16H24FN3O3 — CID 178099488

IUPACtert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate
SMILESCCn1ccc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1=O
InChIInChI=1S/C16H24FN3O3/c1-5-18-7-6-12(17)13(14(18)21)19-8-10-20(11-9-19)15(22)23-16(2,3)4/h6-7H,5,8-11H2,1-4H3
InChIKeyILIYUKAZANKNPI-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate (PubChem CID 178099488) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate
PubChem CID178099488
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate
SMILESCCn1ccc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1=O
InChIInChI=1S/C16H24FN3O3/c1-5-18-7-6-12(17)13(14(18)21)19-8-10-20(11-9-19)15(22)23-16(2,3)4/h6-7H,5,8-11H2,1-4H3
InChIKeyILIYUKAZANKNPI-UHFFFAOYSA-N
XLogP2.06
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
CID 11601990
tert-butyl 4-[2-(4-fluorophenyl)-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxylate
CID 88563088
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl 4-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]piperazine-1-carboxylate
CID 174427866
tert-butyl 4-(2,6-difluoro-4-nitrophenyl)piperazine-1-carboxylate
CID 21462602
tert-butyl 4-[2,6-difluoro-4-(2-methoxyethylamino)phenyl]piperazine-1-carboxylate
CID 140787571
tert-butyl 4-[1-[2-(4-chloro-2-fluorophenyl)ethyl]-2-oxo-3-pyridinyl]piperazine-1-carboxylate
CID 155090363
tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate
CID 163353157
tert-butyl 4-[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]piperazine-1-carboxylate
CID 178099214
tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
CID 135347163
2-[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxoisoquinolin-2-yl]acetic acid
CID 10596374
tert-butyl 4-(2,4-difluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176811217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate (CID 178099488) is tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate is CCn1ccc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1=O.
What is the InChIKey of tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate?
The InChIKey is ILIYUKAZANKNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-5-18-7-6-12(17)13(14(18)21)19-8-10-20(11-9-19)15(22)23-16(2,3)4/h6-7H,5,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate has a molecular weight of 325.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-ethyl-4-fluoro-2-oxo-3-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 178099488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).