methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate

C18H26N2O4 — CID 166113676

IUPACmethyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCCC(C)(C)OC(=O)C1CCN(c2ccc(C(=O)OC)nc2)CC1
InChIInChI=1S/C18H26N2O4/c1-5-18(2,3)24-16(21)13-8-10-20(11-9-13)14-6-7-15(19-12-14)17(22)23-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyHOBXVJBAFSPZJR-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.82
Rot. Bonds5

About methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate

methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 166113676) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID166113676
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCCC(C)(C)OC(=O)C1CCN(c2ccc(C(=O)OC)nc2)CC1
InChIInChI=1S/C18H26N2O4/c1-5-18(2,3)24-16(21)13-8-10-20(11-9-13)14-6-7-15(19-12-14)17(22)23-4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyHOBXVJBAFSPZJR-UHFFFAOYSA-N
XLogP2.82
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate (CID 166113676) is methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate is CCC(C)(C)OC(=O)C1CCN(c2ccc(C(=O)OC)nc2)CC1.
What is the InChIKey of methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is HOBXVJBAFSPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-18(2,3)24-16(21)13-8-10-20(11-9-13)14-6-7-15(19-12-14)17(22)23-4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 166113676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).