1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate

C13H21NO4 — CID 91725473

IUPAC1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCCC)CC1
InChIInChI=1S/C13H21NO4/c1-3-9-17-12(15)11-5-7-14(8-6-11)13(16)18-10-4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyYHHUOYGAXFTJSY-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.97
Rot. Bonds5

About 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate

1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate (PubChem CID 91725473) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate
PubChem CID91725473
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCCC)CC1
InChIInChI=1S/C13H21NO4/c1-3-9-17-12(15)11-5-7-14(8-6-11)13(16)18-10-4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyYHHUOYGAXFTJSY-UHFFFAOYSA-N
XLogP1.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate (CID 91725473) is 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate is C=CCOC(=O)N1CCC(C(=O)OCCC)CC1.
What is the InChIKey of 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate?
The InChIKey is YHHUOYGAXFTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-9-17-12(15)11-5-7-14(8-6-11)13(16)18-10-4-2/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate?
1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-prop-2-enyl 4-O-propyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 91725473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).