(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate

C12H19NO4 — CID 158772757

IUPAC(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
SMILESCCOC(=O)C1(OC(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H19NO4/c1-2-16-10(14)12(6-7-12)17-11(15)13-8-4-3-5-9-13/h2-9H2,1H3
InChIKeyIQBSRDGNXFEORH-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.70
Rot. Bonds3

About (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate

(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate (PubChem CID 158772757) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
PubChem CID158772757
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
SMILESCCOC(=O)C1(OC(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H19NO4/c1-2-16-10(14)12(6-7-12)17-11(15)13-8-4-3-5-9-13/h2-9H2,1H3
InChIKeyIQBSRDGNXFEORH-UHFFFAOYSA-N
XLogP1.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azetidine-1-carboxylate
CID 14088501
(1-acetylcyclopropyl) azetidine-1-carboxylate
CID 126560673
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066897
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
propyl azepane-1-carboxylate
CID 91585333
[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate
CID 135298429
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
CID 154629380
CID 154629380
ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
CID 143410783

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate?
The IUPAC name of (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate (CID 158772757) is (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate.
What is the SMILES notation for (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate?
The canonical SMILES for (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate is CCOC(=O)C1(OC(=O)N2CCCCC2)CC1.
What is the InChIKey of (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate?
The InChIKey is IQBSRDGNXFEORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-16-10(14)12(6-7-12)17-11(15)13-8-4-3-5-9-13/h2-9H2,1H3.
What are the key properties of (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate?
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate is sourced from PubChem (CID 158772757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).