tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate

C15H21FN2O3 — CID 135140556

IUPACtert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)c(=O)[nH]2)CC1
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)12-5-4-11(16)13(19)17-12/h4-5,10H,6-9H2,1-3H3,(H,17,19)
InChIKeyPOYYHAMDUVMQJH-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.63
Rot. Bonds1

About tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate (PubChem CID 135140556) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
PubChem CID135140556
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nametert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)c(=O)[nH]2)CC1
InChIInChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)12-5-4-11(16)13(19)17-12/h4-5,10H,6-9H2,1-3H3,(H,17,19)
InChIKeyPOYYHAMDUVMQJH-UHFFFAOYSA-N
XLogP2.63
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-amino-2,3-difluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67025238
tert-butyl 3-amino-5,6-difluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67025239
tert-butyl 5-amino-2-chloro-3-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67184285
tert-butyl 3-amino-6-chloro-5-fluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67184286
tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544136
tert-butyl 3-fluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544138
tert-butyl 6-piperidin-4-yl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327342
tert-butyl 2-piperidin-4-yl-6-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327343
tert-butyl 6-piperidin-4-yl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327344
tert-butyl 2-piperidin-4-yl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]-2H-pyridine-1-carboxylate
CID 87327345
4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylic acid
CID 134611160
Tert-butyl 4-(4-amino-2-fluorocyclohexa-1,3-dien-1-yl)piperidine-1-carboxylate
CID 155572369

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate (CID 135140556) is tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(=O)[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The InChIKey is POYYHAMDUVMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)12-5-4-11(16)13(19)17-12/h4-5,10H,6-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate has a molecular weight of 296.34 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-fluoro-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 135140556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).