1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate

C11H19NO4 — CID 91725475

IUPAC1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate
SMILESCCCOC(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H19NO4/c1-3-8-16-10(13)9-4-6-12(7-5-9)11(14)15-2/h9H,3-8H2,1-2H3
InChIKeyKJBBKJFLIWGYMY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds3

About 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate

1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate (PubChem CID 91725475) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate
PubChem CID91725475
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate
SMILESCCCOC(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H19NO4/c1-3-8-16-10(13)9-4-6-12(7-5-9)11(14)15-2/h9H,3-8H2,1-2H3
InChIKeyKJBBKJFLIWGYMY-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 736836
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
CID 15852989

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate (CID 91725475) is 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate is CCCOC(=O)C1CCN(C(=O)OC)CC1.
What is the InChIKey of 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate?
The InChIKey is KJBBKJFLIWGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-8-16-10(13)9-4-6-12(7-5-9)11(14)15-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate?
1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-propyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 91725475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).