1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate

C14H25NO5 — CID 67333652

IUPAC1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC
InChIInChI=1S/C14H25NO5/c1-6-19-12(16)10-7-8-15(9-11(10)18-5)13(17)20-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyHKYZZPYWYKCICK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.82
Rot. Bonds3

About 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate (PubChem CID 67333652) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
PubChem CID67333652
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC
InChIInChI=1S/C14H25NO5/c1-6-19-12(16)10-7-8-15(9-11(10)18-5)13(17)20-14(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyHKYZZPYWYKCICK-UHFFFAOYSA-N
XLogP1.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484
1-O-tert-butyl 4-O-ethyl 3-[(1S)-2-methylcyclopropyl]piperidine-1,4-dicarboxylate
CID 144700657
(E)-5-[(3S,4S)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pent-2-enoic acid
CID 11845767
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
(3R)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 143112271
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
(3R,4R)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate
CID 34180169
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(propylamino)piperidine-1,3-dicarboxylate
CID 129493378
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(cyclopropylmethylamino)piperidine-1,3-dicarboxylate
CID 129493476
1-O-tert-butyl 4-O-ethyl (3S,4R)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidine-1,4-dicarboxylate
CID 170286654
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-ethenylpyrrolidine-1,3-dicarboxylate
CID 146382617

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate (CID 67333652) is 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1OC.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate?
The InChIKey is HKYZZPYWYKCICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-6-19-12(16)10-7-8-15(9-11(10)18-5)13(17)20-14(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate is sourced from PubChem (CID 67333652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).