ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate

C16H25NO3 — CID 79140194

IUPACethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2C3CCCCC32)CC1
InChIInChI=1S/C16H25NO3/c1-2-20-16(19)11-7-9-17(10-8-11)15(18)14-12-5-3-4-6-13(12)14/h11-14H,2-10H2,1H3
InChIKeyIYLHMZOUJFLUNJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.22
Rot. Bonds3

About ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate

ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate (PubChem CID 79140194) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
PubChem CID79140194
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2C3CCCCC32)CC1
InChIInChI=1S/C16H25NO3/c1-2-20-16(19)11-7-9-17(10-8-11)15(18)14-12-5-3-4-6-13(12)14/h11-14H,2-10H2,1H3
InChIKeyIYLHMZOUJFLUNJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 1-(cyclopentylcarbamothioyl)piperidine-4-carboxylate
CID 892640
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate (CID 79140194) is ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2C3CCCCC32)CC1.
What is the InChIKey of ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate?
The InChIKey is IYLHMZOUJFLUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-20-16(19)11-7-9-17(10-8-11)15(18)14-12-5-3-4-6-13(12)14/h11-14H,2-10H2,1H3.
What are the key properties of ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate?
ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 79140194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).