tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate

C17H24N2O4 — CID 164888365

IUPACtert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-5-6-13(11-19)15(20)12-7-8-14(22-4)18-10-12/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyVVLCFAFNPLSZSU-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate

tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate (PubChem CID 164888365) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
PubChem CID164888365
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-5-6-13(11-19)15(20)12-7-8-14(22-4)18-10-12/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyVVLCFAFNPLSZSU-UHFFFAOYSA-N
XLogP2.92
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
tert-butyl 3-[[(6-methoxy-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 103759143
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86317858
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate (CID 164888365) is tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate is COc1ccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate?
The InChIKey is VVLCFAFNPLSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-5-6-13(11-19)15(20)12-7-8-14(22-4)18-10-12/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate?
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 164888365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).