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

C17H24N2O4 — CID 58442838

IUPACmethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-6-12(7-10-19)14-11-18-8-5-13(14)15(20)22-4/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyWBTUFEVAYQBPOF-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.98
Rot. Bonds2

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

methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate (PubChem CID 58442838) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate
PubChem CID58442838
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-6-12(7-10-19)14-11-18-8-5-13(14)15(20)22-4/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyWBTUFEVAYQBPOF-UHFFFAOYSA-N
XLogP2.98
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate (CID 58442838) is methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate is COC(=O)c1ccncc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate?
The InChIKey is WBTUFEVAYQBPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-6-12(7-10-19)14-11-18-8-5-13(14)15(20)22-4/h5,8,11-12H,6-7,9-10H2,1-4H3.
What are the key properties of methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate?
methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-4-carboxylate is sourced from PubChem (CID 58442838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).