methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate

C17H24FN3O4 — CID 156518071

IUPACmethyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1F
InChIInChI=1S/C17H24FN3O4/c1-17(2,3)25-16(23)21-9-6-11(7-10-21)20-14-13(18)12(5-8-19-14)15(22)24-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,19,20)
InChIKeyZHBBEKCXCRKMLU-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.82
Rot. Bonds3

About methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate

methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate (PubChem CID 156518071) has the molecular formula C17H24FN3O4 and a molecular weight of 353.39 g/mol. Its IUPAC name is methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
PubChem CID156518071
Molecular FormulaC17H24FN3O4
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC Namemethyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1F
InChIInChI=1S/C17H24FN3O4/c1-17(2,3)25-16(23)21-9-6-11(7-10-21)20-14-13(18)12(5-8-19-14)15(22)24-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,19,20)
InChIKeyZHBBEKCXCRKMLU-UHFFFAOYSA-N
XLogP2.82
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084
tert-butyl 4-[3-methoxycarbonyl-2-methyl-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 86719530
2-fluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 59006330
tert-butyl 4-(5-bromo-3-methoxycarbonyl-2-methylanilino)piperidine-1-carboxylate
CID 70872672
tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate
CID 143770885
tert-butyl 4-(4-methoxycarbonyl-3-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 165495551
tert-butyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;N-piperidin-1-ium-4-yl-5-(trifluoromethyl)pyridin-2-amine;chloride
CID 158175517
1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 172893481
tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate (CID 156518071) is methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1F.
What is the InChIKey of methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is ZHBBEKCXCRKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4/c1-17(2,3)25-16(23)21-9-6-11(7-10-21)20-14-13(18)12(5-8-19-14)15(22)24-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,19,20).
What are the key properties of methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate?
methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 353.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 156518071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).